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Phenanthrenes and derivatives

Polycyclic aromatic hydrocarbon compounds that consist of fourteen carbon atoms and ten hydrogen atoms fused into three benzene rings. Includes compounds that are derived from phenanthrenes.
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16 – 30 of 290 results
16

Fullerene powder, 99.5% C{60}

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD00151408
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C\{60}-I\{h})[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
17
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Coronene, 95%

CAS: 191-07-1 Molecular Formula: C24H12 Molecular Weight (g/mol): 300.36 MDL Number: MFCD00004134 InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N Synonym: hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul PubChem CID: 9115 ChEBI: CHEBI:29863 IUPAC Name: coronene SMILES: C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61

PubChem CID 9115
CAS 191-07-1
Molecular Weight (g/mol) 300.36
ChEBI CHEBI:29863
MDL Number MFCD00004134
SMILES C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61
Synonym hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul
IUPAC Name coronene
InChI Key VPUGDVKSAQVFFS-UHFFFAOYSA-N
Molecular Formula C24H12
18
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Rosin, gum

CAS: 8050-09-7 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.46 MDL Number: MFCD00132205 InChI Key: RSWGJHLUYNHPMX-UHFFFAOYNA-N Synonym: 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

CAS 8050-09-7
Molecular Weight (g/mol) 302.46
MDL Number MFCD00132205
Synonym 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
InChI Key RSWGJHLUYNHPMX-UHFFFAOYNA-N
Molecular Formula C20H30O2
19
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2,3,6,7,10,11-Hexahydroxytriphenylene, Spectrum™ Chemical

CAS: 4877-80-9 Molecular Formula: C18H12O6 Molecular Weight (g/mol): 324.29 InChI Key: QMLILIIMKSKLES-UHFFFAOYSA-N IUPAC Name: triphenylene-2,3,6,7,10,11-hexol SMILES: OC1=C(O)C=C2C(=C1)C1=CC(O)=C(O)C=C1C1=CC(O)=C(O)C=C21

CAS 4877-80-9
Molecular Weight (g/mol) 324.29
SMILES OC1=C(O)C=C2C(=C1)C1=CC(O)=C(O)C=C1C1=CC(O)=C(O)C=C21
IUPAC Name triphenylene-2,3,6,7,10,11-hexol
InChI Key QMLILIIMKSKLES-UHFFFAOYSA-N
Molecular Formula C18H12O6
20
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Violanthrone-79, 98%

CAS: 85652-50-2 Molecular Formula: C50H48O4 Molecular Weight (g/mol): 712.93 MDL Number: MFCD00491570 InChI Key: LLPQZABTDLOYAL-UHFFFAOYSA-N Synonym: violanthrone-79,violanthrone 79,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,1,16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy-anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde-benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione PubChem CID: 16217791 SMILES: CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC

PubChem CID 16217791
CAS 85652-50-2
Molecular Weight (g/mol) 712.93
MDL Number MFCD00491570
SMILES CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC
Synonym violanthrone-79,violanthrone 79,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,1,16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy-anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde-benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione
InChI Key LLPQZABTDLOYAL-UHFFFAOYSA-N
Molecular Formula C50H48O4
21

Benzo[a]pyrene, 96%

CAS: 50-32-8 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.32 MDL Number: MFCD00003602 InChI Key: FMMWHPNWAFZXNH-UHFFFAOYSA-N Synonym: benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene PubChem CID: 2336 ChEBI: CHEBI:29865 IUPAC Name: benzo[a]pyrene SMILES: C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34

PubChem CID 2336
CAS 50-32-8
Molecular Weight (g/mol) 252.32
ChEBI CHEBI:29865
MDL Number MFCD00003602
SMILES C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34
Synonym benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene
IUPAC Name benzo[a]pyrene
InChI Key FMMWHPNWAFZXNH-UHFFFAOYSA-N
Molecular Formula C20H12
22

Fullerene powder, sublimed, 99.9+% C{60}

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD00151408
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C\{60}-I\{h})[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
23

Fullerene powder, hydroxylated, C{60}(OH)∣n,

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD06202029 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD06202029
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C\{60}-I\{h})[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
24
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Benzo[g]chrysene, 98%, Thermo Scientific™

CAS: 196-78-1 Molecular Formula: C22H14 Molecular Weight (g/mol): 278.35 InChI Key: JZOIZKBKSZMVRV-UHFFFAOYSA-N Synonym: benzo g chrysene,benzo a triphenylene,naphthophenanthrene,unii-e7mq64xu75,1,2,3,4-dibenzphenanthrene,1,2,3,4-dibenzophenanthrene,1,2:3,4:7,8-tribenznaphthalene,benzochrysene,acmc-20gx0y PubChem CID: 9140 SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=CC=CC=C35

PubChem CID 9140
CAS 196-78-1
Molecular Weight (g/mol) 278.35
SMILES C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=CC=CC=C35
Synonym benzo g chrysene,benzo a triphenylene,naphthophenanthrene,unii-e7mq64xu75,1,2,3,4-dibenzphenanthrene,1,2,3,4-dibenzophenanthrene,1,2:3,4:7,8-tribenznaphthalene,benzochrysene,acmc-20gx0y
InChI Key JZOIZKBKSZMVRV-UHFFFAOYSA-N
Molecular Formula C22H14
25
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Perfluoro(tetradecahydrophenanthrene), mixture of isomers, Thermo Scientific Chemicals

CAS: 306-91-2 Molecular Formula: C14F24 Molecular Weight (g/mol): 624.116 MDL Number: MFCD00042596 InChI Key: QKENRHXGDUPTEM-UHFFFAOYSA-N Synonym: perfluorophenanthrene,perfluoroperhydrophenanthrene,flutec pp11,perfluoro perhydrophenanthrene,tetracosafluorotetradecahydrophenanthrene,phenanthrene, tetracosafluorotetradecahydro,phenanthrene, 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorotetradecahydro,flutec tm pp11 r,acmc-1clkp,dsstox_cid_27029 PubChem CID: 78972 ChEBI: CHEBI:39423 IUPAC Name: 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorophenanthrene SMILES: C12(C3(C(C(C(C1(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(C(C(C(C3(F)F)(F)F)(F)F)(F)F)F)F)F

PubChem CID 78972
CAS 306-91-2
Molecular Weight (g/mol) 624.116
ChEBI CHEBI:39423
MDL Number MFCD00042596
SMILES C12(C3(C(C(C(C1(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(C(C(C(C3(F)F)(F)F)(F)F)(F)F)F)F)F
Synonym perfluorophenanthrene,perfluoroperhydrophenanthrene,flutec pp11,perfluoro perhydrophenanthrene,tetracosafluorotetradecahydrophenanthrene,phenanthrene, tetracosafluorotetradecahydro,phenanthrene, 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorotetradecahydro,flutec tm pp11 r,acmc-1clkp,dsstox_cid_27029
IUPAC Name 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorophenanthrene
InChI Key QKENRHXGDUPTEM-UHFFFAOYSA-N
Molecular Formula C14F24
26

Hypericin, 98%

CAS: 548-04-9 Molecular Formula: C30H16O8 Molecular Weight (g/mol): 504.45 MDL Number: MFCD00016683 InChI Key: BTXNYTINYBABQR-UHFFFAOYSA-N Synonym: hypericin,hypericum red,hipericina,hypericine,hyperizin,cyclosan,1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro 1,10,9,8-opqra perylene-7,14-dione,cyclo-werol,hypericum extract,vimrxyn PubChem CID: 5281051 ChEBI: CHEBI:5835 SMILES: CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O

PubChem CID 5281051
CAS 548-04-9
Molecular Weight (g/mol) 504.45
ChEBI CHEBI:5835
MDL Number MFCD00016683
SMILES CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O
Synonym hypericin,hypericum red,hipericina,hypericine,hyperizin,cyclosan,1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro 1,10,9,8-opqra perylene-7,14-dione,cyclo-werol,hypericum extract,vimrxyn
InChI Key BTXNYTINYBABQR-UHFFFAOYSA-N
Molecular Formula C30H16O8
27

(+)-Dehydroabietylamine 90.0+%, TCI America™

CAS: 1446-61-3 Molecular Formula: C20H31N Molecular Weight (g/mol): 285.475 MDL Number: MFCD00213430 InChI Key: JVVXZOOGOGPDRZ-SLFFLAALSA-N Synonym: dehydroabietylamine,+-dehydroabietylamine,1r,4as,10ar-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl methanamine,amine d,dehydroabiethylamine,leelamine,podocarpa-8,11,13-trien-15-amine, 13-isopropyl,1-phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-1-methylethyl-, 1r,4as,10ar,pubchem7951,4-12-00-03005 beilstein handbook reference PubChem CID: 62034 IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C

PubChem CID 62034
CAS 1446-61-3
Molecular Weight (g/mol) 285.475
MDL Number MFCD00213430
SMILES CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C
Synonym dehydroabietylamine,+-dehydroabietylamine,1r,4as,10ar-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl methanamine,amine d,dehydroabiethylamine,leelamine,podocarpa-8,11,13-trien-15-amine, 13-isopropyl,1-phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-1-methylethyl-, 1r,4as,10ar,pubchem7951,4-12-00-03005 beilstein handbook reference
IUPAC Name [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
InChI Key JVVXZOOGOGPDRZ-SLFFLAALSA-N
Molecular Formula C20H31N
28

Carnosic Acid 97.0+%, TCI America™

CAS: 3650-09-7 Molecular Formula: C20H28O4 Molecular Weight (g/mol): 332.44 MDL Number: MFCD02259459 InChI Key: QRYRORQUOLYVBU-VBKZILBWSA-N Synonym: (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid PubChem CID: 65126 ChEBI: CHEBI:65585 IUPAC Name: (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O

PubChem CID 65126
CAS 3650-09-7
Molecular Weight (g/mol) 332.44
ChEBI CHEBI:65585
MDL Number MFCD02259459
SMILES CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O
Synonym (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid
IUPAC Name (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
InChI Key QRYRORQUOLYVBU-VBKZILBWSA-N
Molecular Formula C20H28O4
29

2-Triphenylenecarboxaldehyde 98.0+%, TCI America™

CAS: 96404-79-4 Molecular Formula: C19H12O Molecular Weight (g/mol): 256.30 MDL Number: MFCD29089374 InChI Key: NXDGVEYXRSKONY-UHFFFAOYSA-N PubChem CID: 13375435 IUPAC Name: triphenylene-2-carbaldehyde SMILES: O=CC1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1

PubChem CID 13375435
CAS 96404-79-4
Molecular Weight (g/mol) 256.30
MDL Number MFCD29089374
SMILES O=CC1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1
IUPAC Name triphenylene-2-carbaldehyde
InChI Key NXDGVEYXRSKONY-UHFFFAOYSA-N
Molecular Formula C19H12O
30

Sodium Abietate 95.0+%, TCI America™

CAS: 14351-66-7 Molecular Formula: C20H29NaO2 Molecular Weight (g/mol): 324.44 MDL Number: MFCD00058941 InChI Key: ITCAUAYQCALGGV-XTICBAGASA-M Synonym: Abietic Acid Sodium Salt PubChem CID: 133121851 IUPAC Name: sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate SMILES: [Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C([O-])=O)[C@H]2CC1

PubChem CID 133121851
CAS 14351-66-7
Molecular Weight (g/mol) 324.44
MDL Number MFCD00058941
SMILES [Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C([O-])=O)[C@H]2CC1
Synonym Abietic Acid Sodium Salt
IUPAC Name sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
InChI Key ITCAUAYQCALGGV-XTICBAGASA-M
Molecular Formula C20H29NaO2