2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile

C62H38F3N3 — CID 137386339

IUPAC2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2C(F)(F)F)cc1-n1c2ccc(-c3ccccc3)cc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C62H38F3N3/c63-62(64,65)55-24-14-13-23-49(55)54-38-59(68-56-30-26-44(40-15-5-1-6-16-40)33-51(56)50-29-25-47(36-60(50)68)43-21-11-4-12-22-43)48(39-66)37-61(54)67-57-31-27-45(41-17-7-2-8-18-41)34-52(57)53-35-46(28-32-58(53)67)42-19-9-3-10-20-42/h1-38H
InChIKeyRBKDFKBVVLZAHJ-UHFFFAOYSA-N
MW882.00 g/mol
LogP17.11
Rot. Bonds7

About 2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile

2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386339) has the molecular formula C62H38F3N3 and a molecular weight of 882.00 g/mol. Its IUPAC name is 2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386339
Molecular FormulaC62H38F3N3
Molecular Weight882.00 g/mol
Exact Mass881.30
IUPAC Name2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2C(F)(F)F)cc1-n1c2ccc(-c3ccccc3)cc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C62H38F3N3/c63-62(64,65)55-24-14-13-23-49(55)54-38-59(68-56-30-26-44(40-15-5-1-6-16-40)33-51(56)50-29-25-47(36-60(50)68)43-21-11-4-12-22-43)48(39-66)37-61(54)67-57-31-27-45(41-17-7-2-8-18-41)34-52(57)53-35-46(28-32-58(53)67)42-19-9-3-10-20-42/h1-38H
InChIKeyRBKDFKBVVLZAHJ-UHFFFAOYSA-N
XLogP17.11
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.00
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157403628
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822
2,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386441
4,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386514
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 134473578
2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 161455760
2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381430
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543874
4,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386399
4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 137392575
9-[2-(3,5-difluorophenyl)-4-(2,7-diphenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,7-diphenylcarbazole;9-[2-(3,5-difluorophenyl)-4-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 158702120

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386339) is 2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2C(F)(F)F)cc1-n1c2ccc(-c3ccccc3)cc2c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is RBKDFKBVVLZAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38F3N3/c63-62(64,65)55-24-14-13-23-49(55)54-38-59(68-56-30-26-44(40-15-5-1-6-16-40)33-51(56)50-29-25-47(36-60(50)68)43-21-11-4-12-22-43)48(39-66)37-61(54)67-57-31-27-45(41-17-7-2-8-18-41)34-52(57)53-35-46(28-32-58(53)67)42-19-9-3-10-20-42/h1-38H.
What are the key properties of 2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 882.00 g/mol, XLogP of 17.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).