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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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46 – 60 of 257 results
46

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
47

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

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
48

Ethyl Abietate 80.0+%, TCI America™

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
49

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

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
50

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

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
51

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

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
52

4,4,5,5-Tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane 97.0+%, TCI America™

CAS: 890042-13-4 Molecular Formula: C24H23BO2 Molecular Weight (g/mol): 354.26 MDL Number: MFCD26401844 InChI Key: VXLBBSLCTFTKOE-UHFFFAOYSA-N Synonym: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylene, Triphenylen-2-ylboronic Acid Pinacol Ester PubChem CID: 58769449 IUPAC Name: 4,4,5,5-tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1

PubChem CID 58769449
CAS 890042-13-4
Molecular Weight (g/mol) 354.26
MDL Number MFCD26401844
SMILES CC1(C)OB(OC1(C)C)C1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1
Synonym 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylene, Triphenylen-2-ylboronic Acid Pinacol Ester
IUPAC Name 4,4,5,5-tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane
InChI Key VXLBBSLCTFTKOE-UHFFFAOYSA-N
Molecular Formula C24H23BO2
53

2,3,6,7,10,11-Hexabromotriphenylene 98.0+%, TCI America™

CAS: 82632-80-2 Molecular Formula: C18H6Br6 Molecular Weight (g/mol): 701.67 InChI Key: GLHQUXLCQLQNPZ-UHFFFAOYSA-N PubChem CID: 11083045 IUPAC Name: 2,3,6,7,10,11-hexabromotriphenylene SMILES: C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1Br)Br)Br)Br)Br)Br

PubChem CID 11083045
CAS 82632-80-2
Molecular Weight (g/mol) 701.67
SMILES C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1Br)Br)Br)Br)Br)Br
IUPAC Name 2,3,6,7,10,11-hexabromotriphenylene
InChI Key GLHQUXLCQLQNPZ-UHFFFAOYSA-N
Molecular Formula C18H6Br6
54

Fullerene C60 (pure) 99.5+%, TCI America™

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: (C60-Ih)[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 (C60-Ih)[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
55

6,12-Dibromochrysene 98.0+%, TCI America™

CAS: 131222-99-6 Molecular Formula: C18H10Br2 Molecular Weight (g/mol): 386.09 MDL Number: MFCD00092281 InChI Key: RULVBMDEPWAFIN-UHFFFAOYSA-N Synonym: 6,12-dibromochryscene,chrysene, 6,12-ibromo,chrysene, 6,12-dibromo,acmc-1c5x4,6,12-bis bromanyl chrysene,6,12-dibromochrysen PubChem CID: 3286225 IUPAC Name: 6,12-dibromochrysene SMILES: BrC1=CC2=C(C=C(Br)C3=CC=CC=C23)C2=CC=CC=C12

PubChem CID 3286225
CAS 131222-99-6
Molecular Weight (g/mol) 386.09
MDL Number MFCD00092281
SMILES BrC1=CC2=C(C=C(Br)C3=CC=CC=C23)C2=CC=CC=C12
Synonym 6,12-dibromochryscene,chrysene, 6,12-ibromo,chrysene, 6,12-dibromo,acmc-1c5x4,6,12-bis bromanyl chrysene,6,12-dibromochrysen
IUPAC Name 6,12-dibromochrysene
InChI Key RULVBMDEPWAFIN-UHFFFAOYSA-N
Molecular Formula C18H10Br2
56

2-(3-Bromophenyl)triphenylene 98.0+%, TCI America™

CAS: 1313514-53-2 Molecular Formula: C24H15Br Molecular Weight (g/mol): 383.288 InChI Key: KWXFBIBEVROWEF-UHFFFAOYSA-N PubChem CID: 58472032 IUPAC Name: 2-(3-bromophenyl)triphenylene SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC(=CC=C4)Br)C5=CC=CC=C25

PubChem CID 58472032
CAS 1313514-53-2
Molecular Weight (g/mol) 383.288
SMILES C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC(=CC=C4)Br)C5=CC=CC=C25
IUPAC Name 2-(3-bromophenyl)triphenylene
InChI Key KWXFBIBEVROWEF-UHFFFAOYSA-N
Molecular Formula C24H15Br
57

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

CAS: 571177-66-7 Molecular Formula: C75H20O2 MDL Number: MFCD09842755 Synonym: PCBB, [60]PCB-C4

CAS 571177-66-7
MDL Number MFCD09842755
Synonym PCBB, [60]PCB-C4
Molecular Formula C75H20O2
58

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

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

CAS 571177-69-0
Synonym [60]PCB-C12
Molecular Formula C83H36O2
59

Coronene 83.0+%, 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

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
60

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

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