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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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31 – 45 of 151 results
31

Carnosic Acid 97.0+%, TCI America™
SDP

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
32

2-(4-Bromophenyl)triphenylene 98.0+%, TCI America™
SDP

CAS: 1158227-56-5 Molecular Formula: C24H15Br Molecular Weight (g/mol): 383.288 InChI Key: FWESVNIHRVSDDV-UHFFFAOYSA-N PubChem CID: 58174854 IUPAC Name: 2-(4-bromophenyl)triphenylene SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C25

PubChem CID 58174854
CAS 1158227-56-5
Molecular Weight (g/mol) 383.288
SMILES C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C25
IUPAC Name 2-(4-bromophenyl)triphenylene
InChI Key FWESVNIHRVSDDV-UHFFFAOYSA-N
Molecular Formula C24H15Br
33

Benzo[ghi]perylene 97.0+%, TCI America™
SDP

CAS: 191-24-2 Molecular Formula: C22H12 Molecular Weight (g/mol): 276.338 MDL Number: MFCD00004135 InChI Key: GYFAGKUZYNFMBN-UHFFFAOYSA-N Synonym: benzo ghi perylene,1,12-benzoperylene,1,12-benzperylene,benzo g,h,i perylene,benzo ghi pyrilene,benzo-1,12-perylene,unii-5zme2e2q9l,ccris 784 PubChem CID: 9117 ChEBI: CHEBI:34568 SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2

PubChem CID 9117
CAS 191-24-2
Molecular Weight (g/mol) 276.338
ChEBI CHEBI:34568
MDL Number MFCD00004135
SMILES C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2
Synonym benzo ghi perylene,1,12-benzoperylene,1,12-benzperylene,benzo g,h,i perylene,benzo ghi pyrilene,benzo-1,12-perylene,unii-5zme2e2q9l,ccris 784
InChI Key GYFAGKUZYNFMBN-UHFFFAOYSA-N
Molecular Formula C22H12
34

[6,6]-Phenyl-C61-butyric Acid Dodecyl Ester 98.0+%, TCI America™
SDP

CAS: 571177-69-0 Molecular Formula: C83H36O2 Synonym: [60]PCB-C12

CAS 571177-69-0
Synonym [60]PCB-C12
Molecular Formula C83H36O2
35

Picene (purified by sublimation) (>99.9%) 99.9+%, TCI America™
SDP

CAS: 213-46-7 Molecular Formula: C22H14 Molecular Weight (g/mol): 278.354 MDL Number: MFCD00215857 InChI Key: GBROPGWFBFCKAG-UHFFFAOYSA-N Synonym: 3,4-benzchrysene,pycene,benzo a chrysene,1,2:7,8-dibenzophenanthrene,beta,beta-binaphthyleneethene,dibenzo a,i phenanthrene,1,2,7,8-dibenzphenanthrene,unii-f70r8zbr7t,f70r8zbr7t PubChem CID: 9162 ChEBI: CHEBI:33090 IUPAC Name: picene SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54

PubChem CID 9162
CAS 213-46-7
Molecular Weight (g/mol) 278.354
ChEBI CHEBI:33090
MDL Number MFCD00215857
SMILES C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54
Synonym 3,4-benzchrysene,pycene,benzo a chrysene,1,2:7,8-dibenzophenanthrene,beta,beta-binaphthyleneethene,dibenzo a,i phenanthrene,1,2,7,8-dibenzphenanthrene,unii-f70r8zbr7t,f70r8zbr7t
IUPAC Name picene
InChI Key GBROPGWFBFCKAG-UHFFFAOYSA-N
Molecular Formula C22H14
36

4,4,5,5-Tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane 98.0+%, TCI America™
SDP

CAS: 1115639-92-3 Molecular Formula: C30H27BO2 Molecular Weight (g/mol): 430.35 MDL Number: MFCD28130383 InChI Key: NZTBACVVLACPNL-UHFFFAOYSA-N Synonym: 2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]triphenylene PubChem CID: 58489416 IUPAC Name: 4,4,5,5-tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC=C1)C1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1

PubChem CID 58489416
CAS 1115639-92-3
Molecular Weight (g/mol) 430.35
MDL Number MFCD28130383
SMILES CC1(C)OB(OC1(C)C)C1=CC(=CC=C1)C1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1
Synonym 2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]triphenylene
IUPAC Name 4,4,5,5-tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane
InChI Key NZTBACVVLACPNL-UHFFFAOYSA-N
Molecular Formula C30H27BO2
37

Ethyl Abietate 80.0+%, TCI America™
SDP

CAS: 631-71-0 Molecular Formula: C22H34O2 Molecular Weight (g/mol): 330.51 MDL Number: MFCD00028860 InChI Key: AGUBCDYYAKENKG-YVNJGZBMSA-N Synonym: Abietic Acid Ethyl Ester, Ethyl Rosinate, Rosin Acid Ethyl Ester PubChem CID: 53642177 IUPAC Name: ethyl (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: CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C

PubChem CID 53642177
CAS 631-71-0
Molecular Weight (g/mol) 330.51
MDL Number MFCD00028860
SMILES CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
Synonym Abietic Acid Ethyl Ester, Ethyl Rosinate, Rosin Acid Ethyl Ester
IUPAC Name ethyl (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 AGUBCDYYAKENKG-YVNJGZBMSA-N
Molecular Formula C22H34O2
38

3-(Diphenylamino)dibenzo[g,p]chrysene 97.0+%, TCI America™
SDP

CAS: 1397202-77-5 Molecular Formula: C38H25N Molecular Weight (g/mol): 495.625 InChI Key: UNHRFJSSMJBBLW-UHFFFAOYSA-N Synonym: 3-DPADBC PubChem CID: 44629943 SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C84

PubChem CID 44629943
CAS 1397202-77-5
Molecular Weight (g/mol) 495.625
SMILES C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C84
Synonym 3-DPADBC
InChI Key UNHRFJSSMJBBLW-UHFFFAOYSA-N
Molecular Formula C38H25N
39

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

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
40

Isoviolanthrone, TCI America™
SDP

CAS: 128-64-3 Molecular Formula: C34H16O2 Molecular Weight (g/mol): 456.5 MDL Number: MFCD00021274 InChI Key: BSIHWSXXPBAGTC-UHFFFAOYSA-N Synonym: Isodibenzanthrone PubChem CID: 67189 SMILES: C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=CC=C7C8=C(C=CC5=C68)C9=CC=CC=C9C7=O)C2=O

PubChem CID 67189
CAS 128-64-3
Molecular Weight (g/mol) 456.5
MDL Number MFCD00021274
SMILES C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=CC=C7C8=C(C=CC5=C68)C9=CC=CC=C9C7=O)C2=O
Synonym Isodibenzanthrone
InChI Key BSIHWSXXPBAGTC-UHFFFAOYSA-N
Molecular Formula C34H16O2
41

2,3,6,7,10,11-Hexakis[(n-octyl)oxy]triphenylene 98.0+%, TCI America™
SDP

CAS: 70351-87-0 Molecular Formula: C66H108O6 Molecular Weight (g/mol): 997.58 MDL Number: MFCD20528916 InChI Key: IUFDADHEWRYRSP-UHFFFAOYSA-N PubChem CID: 15219108 IUPAC Name: 2,3,6,7,10,11-hexakis(octyloxy)triphenylene SMILES: CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21

PubChem CID 15219108
CAS 70351-87-0
Molecular Weight (g/mol) 997.58
MDL Number MFCD20528916
SMILES CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21
IUPAC Name 2,3,6,7,10,11-hexakis(octyloxy)triphenylene
InChI Key IUFDADHEWRYRSP-UHFFFAOYSA-N
Molecular Formula C66H108O6
42

2-Bromotriphenylene 98.0+%, TCI America™
SDP

CAS: 19111-87-6 Molecular Formula: C18H11Br Molecular Weight (g/mol): 307.19 MDL Number: MFCD16659043 InChI Key: GEDOYYDMCZUHNW-UHFFFAOYSA-N PubChem CID: 18381174 IUPAC Name: 2-bromotriphenylene SMILES: BrC1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1

PubChem CID 18381174
CAS 19111-87-6
Molecular Weight (g/mol) 307.19
MDL Number MFCD16659043
SMILES BrC1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1
IUPAC Name 2-bromotriphenylene
InChI Key GEDOYYDMCZUHNW-UHFFFAOYSA-N
Molecular Formula C18H11Br
43

9,10-Phenanthrenequinone 99.0+%, TCI America™
SDP

CAS: 84-11-7 Molecular Formula: C14H8O2 Molecular Weight (g/mol): 208.216 MDL Number: MFCD00001163 InChI Key: YYVYAPXYZVYDHN-UHFFFAOYSA-N Synonym: 9,10-phenanthrenequinone,phenanthrenequinone,9,10-phenanthrenedione,9,10-phenanthraquinone,phenanthraquinone,9,10-phenanthroquinone,9-10 phenanthrene quinone,unii-42l7bz8h74,ccris 7615,phenanthrene, 9,10-dihydro-9,10-dioxo PubChem CID: 6763 ChEBI: CHEBI:37454 IUPAC Name: phenanthrene-9,10-dione SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O

PubChem CID 6763
CAS 84-11-7
Molecular Weight (g/mol) 208.216
ChEBI CHEBI:37454
MDL Number MFCD00001163
SMILES C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O
Synonym 9,10-phenanthrenequinone,phenanthrenequinone,9,10-phenanthrenedione,9,10-phenanthraquinone,phenanthraquinone,9,10-phenanthroquinone,9-10 phenanthrene quinone,unii-42l7bz8h74,ccris 7615,phenanthrene, 9,10-dihydro-9,10-dioxo
IUPAC Name phenanthrene-9,10-dione
InChI Key YYVYAPXYZVYDHN-UHFFFAOYSA-N
Molecular Formula C14H8O2
44

3,4-Benzopyrene (purified by sublimation) 95.0+%, TCI America™
SDP

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: pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene 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 pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene
InChI Key FMMWHPNWAFZXNH-UHFFFAOYSA-N
Molecular Formula C20H12
45

Benzo[a]phenanthrene (purified by sublimation) 98.0+%, TCI America™
SDP

CAS: 218-01-9 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.294 MDL Number: MFCD00003698 InChI Key: WDECIBYCCFPHNR-UHFFFAOYSA-N Synonym: benzo a phenanthrene,1,2-benzophenanthrene,1,2-benzphenanthrene,1,2,5,6-dibenzonaphthalene,benz a phenanthrene,chrysen,rcra waste number u050,rcra waste no. u050 PubChem CID: 9171 ChEBI: CHEBI:51687 IUPAC Name: chrysene SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43

PubChem CID 9171
CAS 218-01-9
Molecular Weight (g/mol) 228.294
ChEBI CHEBI:51687
MDL Number MFCD00003698
SMILES C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
Synonym benzo a phenanthrene,1,2-benzophenanthrene,1,2-benzphenanthrene,1,2,5,6-dibenzonaphthalene,benz a phenanthrene,chrysen,rcra waste number u050,rcra waste no. u050
IUPAC Name chrysene
InChI Key WDECIBYCCFPHNR-UHFFFAOYSA-N
Molecular Formula C18H12