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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 229 results
31

2,3,6,7,10,11-Hexamethoxytriphenylene 95.0+%, TCI America™
SDP

CAS: 808-57-1 Molecular Formula: C24H24O6 Molecular Weight (g/mol): 408.45 MDL Number: MFCD00075571 InChI Key: TXROZCSFVVIBFI-UHFFFAOYSA-N PubChem CID: 4607363 IUPAC Name: 2,3,6,7,10,11-hexamethoxytriphenylene SMILES: COC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OC)OC)OC)OC)OC

PubChem CID 4607363
CAS 808-57-1
Molecular Weight (g/mol) 408.45
MDL Number MFCD00075571
SMILES COC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OC)OC)OC)OC)OC
IUPAC Name 2,3,6,7,10,11-hexamethoxytriphenylene
InChI Key TXROZCSFVVIBFI-UHFFFAOYSA-N
Molecular Formula C24H24O6
32

9,10-Dihydrophenanthrene 96.0+%, TCI America™
SDP

CAS: 776-35-2 Molecular Formula: C14H12 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00001164 InChI Key: XXPBFNVKTVJZKF-UHFFFAOYSA-N Synonym: phenanthrene, 9,10-dihydro,unii-brm9tu2f34,9,10-dihydro-phenanthrene,dihydrophenanthrene,brm9tu2f34,acmc-1ba4q,phenanthrene,9,10-dihydro,9,10-dihydrophenanthrene,phenanthrene, 9,10-dihydro-8ci 9ci PubChem CID: 13058 IUPAC Name: 9,10-dihydrophenanthrene SMILES: C1CC2=CC=CC=C2C3=CC=CC=C31

PubChem CID 13058
CAS 776-35-2
Molecular Weight (g/mol) 180.25
MDL Number MFCD00001164
SMILES C1CC2=CC=CC=C2C3=CC=CC=C31
Synonym phenanthrene, 9,10-dihydro,unii-brm9tu2f34,9,10-dihydro-phenanthrene,dihydrophenanthrene,brm9tu2f34,acmc-1ba4q,phenanthrene,9,10-dihydro,9,10-dihydrophenanthrene,phenanthrene, 9,10-dihydro-8ci 9ci
IUPAC Name 9,10-dihydrophenanthrene
InChI Key XXPBFNVKTVJZKF-UHFFFAOYSA-N
Molecular Formula C14H12
33

Dibenzo[b,def]chrysene 98.0+%, TCI America™
SDP

CAS: 189-64-0 Molecular Formula: C24H14 Molecular Weight (g/mol): 302.376 MDL Number: MFCD00039579 InChI Key: RXUSYFJGDZFVND-UHFFFAOYSA-N Synonym: dibenzo b,def chrysene,dibenzo a,h pyrene,db a,h p,3,4,8,9-dibenzpyrene,1,2,6,7-dibenzopyrene,3,4,8,9-dibenzopyrene,unii-xr5r3v8bjk,3,4:8,9-dibenzopyrene PubChem CID: 9108 ChEBI: CHEBI:82313 SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=CC=CC=C56)C=C3

PubChem CID 9108
CAS 189-64-0
Molecular Weight (g/mol) 302.376
ChEBI CHEBI:82313
MDL Number MFCD00039579
SMILES C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=CC=CC=C56)C=C3
Synonym dibenzo b,def chrysene,dibenzo a,h pyrene,db a,h p,3,4,8,9-dibenzpyrene,1,2,6,7-dibenzopyrene,3,4,8,9-dibenzopyrene,unii-xr5r3v8bjk,3,4:8,9-dibenzopyrene
InChI Key RXUSYFJGDZFVND-UHFFFAOYSA-N
Molecular Formula C24H14
34

ICBA 98.5+%, TCI America™
SDP

CAS: 1207461-57-1 Molecular Formula: C78H16 Molecular Weight (g/mol): 952.986 MDL Number: MFCD20264904 InChI Key: HQCAMIYWHBVPQE-UHFFFAOYSA-N PubChem CID: 91972098 SMILES: C1C2C3=CC=CC=C3C1C45C26C7=C8C9=C1C2=C3C8=C8C6=C6C4=C4C%10=C%11C%12=C%13C%14=C%15C%16=C%17C(=C1C1=C2C2=C%18C%19=C%20C2=C3C8=C2C%20=C(C%10=C26)C2=C%11C3=C%13C%15=C6C%17=C1C%181C6(C3=C2%19)C2CC1C1=CC=CC=C21)C1=C%16C2=C%14C(=C%124)C5=C2C7=C19

PubChem CID 91972098
CAS 1207461-57-1
Molecular Weight (g/mol) 952.986
MDL Number MFCD20264904
SMILES C1C2C3=CC=CC=C3C1C45C26C7=C8C9=C1C2=C3C8=C8C6=C6C4=C4C%10=C%11C%12=C%13C%14=C%15C%16=C%17C(=C1C1=C2C2=C%18C%19=C%20C2=C3C8=C2C%20=C(C%10=C26)C2=C%11C3=C%13C%15=C6C%17=C1C%181C6(C3=C2%19)C2CC1C1=CC=CC=C21)C1=C%16C2=C%14C(=C%124)C5=C2C7=C19
InChI Key HQCAMIYWHBVPQE-UHFFFAOYSA-N
Molecular Formula C78H16
35

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
36

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
37

3,6-Dibromo-9-(triphenylen-2-yl)carbazole 98.0+%, TCI America™
SDP

CAS: 1351870-16-0 Molecular Formula: C30H17Br2N Molecular Weight (g/mol): 551.281 InChI Key: SXVSFEPJEUWLCL-UHFFFAOYSA-N PubChem CID: 89492331 IUPAC Name: 3,6-dibromo-9-triphenylen-2-ylcarbazole SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)N4C5=C(C=C(C=C5)Br)C6=C4C=CC(=C6)Br)C7=CC=CC=C27

PubChem CID 89492331
CAS 1351870-16-0
Molecular Weight (g/mol) 551.281
SMILES C1=CC=C2C(=C1)C3=C(C=C(C=C3)N4C5=C(C=C(C=C5)Br)C6=C4C=CC(=C6)Br)C7=CC=CC=C27
IUPAC Name 3,6-dibromo-9-triphenylen-2-ylcarbazole
InChI Key SXVSFEPJEUWLCL-UHFFFAOYSA-N
Molecular Formula C30H17Br2N
38

C60MC12 97.0+%, TCI America™
SDP

CAS: 403483-19-2 Molecular Formula: C81H35N Molecular Weight (g/mol): 1022.178 InChI Key: YDAHEEMFHYNKKQ-UHFFFAOYSA-N Synonym: C60-fused N-Methylpyrrolidine-m-C12-phenyl PubChem CID: 53384414 SMILES: CCCCCCCCCCCCC1=CC=CC(=C1)C2C34C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C8C7=C7C%14=C8C8=C%15C(=C%13C8=C%101)C1=C%12C8=C%10C1=C1C%15=C%14C%12=C1C1=C%10C%10=C%13C8=C%11C8=C5C9=C3C(=C%138)C3=C%10C1=C1C%12=C7C6=C1C43CN2C

PubChem CID 53384414
CAS 403483-19-2
Molecular Weight (g/mol) 1022.178
SMILES CCCCCCCCCCCCC1=CC=CC(=C1)C2C34C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C8C7=C7C%14=C8C8=C%15C(=C%13C8=C%101)C1=C%12C8=C%10C1=C1C%15=C%14C%12=C1C1=C%10C%10=C%13C8=C%11C8=C5C9=C3C(=C%138)C3=C%10C1=C1C%12=C7C6=C1C43CN2C
Synonym C60-fused N-Methylpyrrolidine-m-C12-phenyl
InChI Key YDAHEEMFHYNKKQ-UHFFFAOYSA-N
Molecular Formula C81H35N
39

Dibenzo[g,p]chrysene 98.0+%, TCI America™
SDP

CAS: 191-68-4 Molecular Formula: C26H16 Molecular Weight (g/mol): 328.414 InChI Key: GQDKQZAEQBGVBS-UHFFFAOYSA-N PubChem CID: 67449 SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64

PubChem CID 67449
CAS 191-68-4
Molecular Weight (g/mol) 328.414
SMILES C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64
InChI Key GQDKQZAEQBGVBS-UHFFFAOYSA-N
Molecular Formula C26H16
40

Triphenylene 96.0+%, TCI America™
SDP

CAS: 217-59-4 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00001108 InChI Key: SLGBZMMZGDRARJ-UHFFFAOYSA-N Synonym: 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl PubChem CID: 9170 ChEBI: CHEBI:33080 IUPAC Name: triphenylene SMILES: C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21

PubChem CID 9170
CAS 217-59-4
Molecular Weight (g/mol) 228.29
ChEBI CHEBI:33080
MDL Number MFCD00001108
SMILES C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21
Synonym 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl
IUPAC Name triphenylene
InChI Key SLGBZMMZGDRARJ-UHFFFAOYSA-N
Molecular Formula C18H12
41

2,7-Dibromophenanthrene-9,10-dione 97.0+%, TCI America™
SDP

CAS: 84405-44-7 Molecular Formula: C14H6Br2O2 Molecular Weight (g/mol): 366.01 MDL Number: MFCD03931078 InChI Key: LTZIIBSPYWTOQV-UHFFFAOYSA-N PubChem CID: 265843 IUPAC Name: 2,7-dibromo-9,10-dihydrophenanthrene-9,10-dione SMILES: BrC1=CC=C2C3=CC=C(Br)C=C3C(=O)C(=O)C2=C1

PubChem CID 265843
CAS 84405-44-7
Molecular Weight (g/mol) 366.01
MDL Number MFCD03931078
SMILES BrC1=CC=C2C3=CC=C(Br)C=C3C(=O)C(=O)C2=C1
IUPAC Name 2,7-dibromo-9,10-dihydrophenanthrene-9,10-dione
InChI Key LTZIIBSPYWTOQV-UHFFFAOYSA-N
Molecular Formula C14H6Br2O2
42

Carnosic Acid (Synthetic) 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
43

Bis-PCBM (mixture of isomers), TCI America™
SDP

CAS: 1048679-01-1 Molecular Formula: C84H28O4 Molecular Weight (g/mol): 1101.144 InChI Key: VESBOBHLCIVURF-UHFFFAOYSA-N Synonym: Bis[60]PCBM PubChem CID: 91972111 SMILES: COC(=O)CCCC1(C23C14C5=C6C7=C8C9=C1C7=C7C%10=C%11C%12=C7C7=C%13C%14=C%12C%12=C%15C%14=C%14C%16=C%17C%15=C%15C%18=C%12C%11=C(C%18=C2C2=C%15C%17=C%11C%12=C2C3=C2C5=C8C3=C2C%12=C2C%11=C%16C5=C8C2=C3C9=C8C(=C17)C%131C5%14C1(CCCC(=O)OC)C1=CC=CC=C1)C4=C%106)C1=C

PubChem CID 91972111
CAS 1048679-01-1
Molecular Weight (g/mol) 1101.144
SMILES COC(=O)CCCC1(C23C14C5=C6C7=C8C9=C1C7=C7C%10=C%11C%12=C7C7=C%13C%14=C%12C%12=C%15C%14=C%14C%16=C%17C%15=C%15C%18=C%12C%11=C(C%18=C2C2=C%15C%17=C%11C%12=C2C3=C2C5=C8C3=C2C%12=C2C%11=C%16C5=C8C2=C3C9=C8C(=C17)C%131C5%14C1(CCCC(=O)OC)C1=CC=CC=C1)C4=C%106)C1=C
Synonym Bis[60]PCBM
InChI Key VESBOBHLCIVURF-UHFFFAOYSA-N
Molecular Formula C84H28O4
44

2-Triphenylenecarboxaldehyde 98.0+%, TCI America™
SDP

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
45

9,10-Phenanthrenequinone 98.0+%, 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