2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile

C52H34F3N3 — CID 137386425

IUPAC2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccccc4C(F)(F)F)c(-n4c5ccccc5c5ccc(-c6ccccc6C)cc54)cc3C#N)c2c1
InChIInChI=1S/C52H34F3N3/c1-32-13-3-5-15-37(32)34-23-25-42-40-18-8-11-21-46(40)57(49(42)27-34)48-30-44(39-17-7-10-20-45(39)52(53,54)55)51(29-36(48)31-56)58-47-22-12-9-19-41(47)43-26-24-35(28-50(43)58)38-16-6-4-14-33(38)2/h3-30H,1-2H3
InChIKeyUQKFZVZEAMXXEQ-UHFFFAOYSA-N
MW757.86 g/mol
LogP14.39
Rot. Bonds5

About 2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile

2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386425) has the molecular formula C52H34F3N3 and a molecular weight of 757.86 g/mol. Its IUPAC name is 2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386425
Molecular FormulaC52H34F3N3
Molecular Weight757.86 g/mol
Exact Mass757.27
IUPAC Name2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccccc4C(F)(F)F)c(-n4c5ccccc5c5ccc(-c6ccccc6C)cc54)cc3C#N)c2c1
InChIInChI=1S/C52H34F3N3/c1-32-13-3-5-15-37(32)34-23-25-42-40-18-8-11-21-46(40)57(49(42)27-34)48-30-44(39-17-7-10-20-45(39)52(53,54)55)51(29-36(48)31-56)58-47-22-12-9-19-41(47)43-26-24-35(28-50(43)58)38-16-6-4-14-33(38)2/h3-30H,1-2H3
InChIKeyUQKFZVZEAMXXEQ-UHFFFAOYSA-N
XLogP14.39
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.86
LogP ≤ 514.39
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
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 134300544
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386339
3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386806
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 147981502
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 146519834
2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386835
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
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
4,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386514
2,5-bis(2-methylcarbazol-9-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-methyl-9-[4-(2-methylcarbazol-9-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 161271850
4-[2,4-bis(trifluoromethyl)phenyl]-2,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 138567394

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386425) is 2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccccc4C(F)(F)F)c(-n4c5ccccc5c5ccc(-c6ccccc6C)cc54)cc3C#N)c2c1.
What is the InChIKey of 2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is UQKFZVZEAMXXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34F3N3/c1-32-13-3-5-15-37(32)34-23-25-42-40-18-8-11-21-46(40)57(49(42)27-34)48-30-44(39-17-7-10-20-45(39)52(53,54)55)51(29-36(48)31-56)58-47-22-12-9-19-41(47)43-26-24-35(28-50(43)58)38-16-6-4-14-33(38)2/h3-30H,1-2H3.
What are the key properties of 2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 757.86 g/mol, XLogP of 14.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).