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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46 – 60 of 257 results

Triphenylene (purified by sublimation) 98.0+%, TCI America™

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

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Specifications

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

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

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

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Specifications

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

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

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

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Specifications

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

ICBA 98.5+%, TCI America™

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

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Specifications

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

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

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

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Specifications

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

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

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

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Specifications

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

2,3,6,7,10,11-Hexakis(hexyloxy)triphenylene 98.0+%, TCI America™

CAS: 70351-86-9 Molecular Formula: C54H84O6 Molecular Weight (g/mol): 829.26 MDL Number: MFCD16250223 InChI Key: SQYCPYUKCAKHRN-UHFFFAOYSA-N PubChem CID: 10941839 IUPAC Name: 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene SMILES: CCCCCCOC1=C(OCCCCCC)C=C2C(=C1)C1=CC(OCCCCCC)=C(OCCCCCC)C=C1C1=CC(OCCCCCC)=C(OCCCCCC)C=C21

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Specifications

PubChem CID	10941839
CAS	70351-86-9
Molecular Weight (g/mol)	829.26
MDL Number	MFCD16250223
SMILES	CCCCCCOC1=C(OCCCCCC)C=C2C(=C1)C1=CC(OCCCCCC)=C(OCCCCCC)C=C1C1=CC(OCCCCCC)=C(OCCCCCC)C=C21
IUPAC Name	2,3,6,7,10,11-hexakis(hexyloxy)triphenylene
InChI Key	SQYCPYUKCAKHRN-UHFFFAOYSA-N
Molecular Formula	C54H84O6

C60MC12 97.0+%, TCI America™

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

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Specifications

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

Violanthrone 79 95.0+%, TCI America™

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

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Specifications

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

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

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

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Specifications

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

Coronene (purified by sublimation) 98.0+%, TCI America™

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

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Specifications

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

Pisiferic Acid 98.0+%, TCI America™

CAS: 67494-15-9 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.441 MDL Number: MFCD01708794 InChI Key: ATHWSPHADLLZSS-PXNSSMCTSA-N PubChem CID: 162209 ChEBI: CHEBI:70576 IUPAC Name: (4aR,10aS)-6-hydroxy-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

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Specifications

PubChem CID	162209
CAS	67494-15-9
Molecular Weight (g/mol)	316.441
ChEBI	CHEBI:70576
MDL Number	MFCD01708794
SMILES	CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O
IUPAC Name	(4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
InChI Key	ATHWSPHADLLZSS-PXNSSMCTSA-N
Molecular Formula	C20H28O3

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

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Specifications

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

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

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

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Specifications

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

9,10-Phenanthrenequinone 98.0+%, TCI America™

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

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Specifications

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

Phenanthrenes and derivatives

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