2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile

C31H20N2 — CID 175219290

IUPAC2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C31H20N2/c32-21-24-12-4-5-13-25(24)26-14-6-8-16-29(26)33-30-17-9-7-15-27(30)28-20-23(18-19-31(28)33)22-10-2-1-3-11-22/h1-20H
InChIKeyAANCLMBIGYYDHF-UHFFFAOYSA-N
MW420.52 g/mol
LogP7.99
Rot. Bonds3

About 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile

2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 175219290) has the molecular formula C31H20N2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID175219290
Molecular FormulaC31H20N2
Molecular Weight420.52 g/mol
Exact Mass420.16
IUPAC Name2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C31H20N2/c32-21-24-12-4-5-13-25(24)26-14-6-8-16-29(26)33-30-17-9-7-15-27(30)28-20-23(18-19-31(28)33)22-10-2-1-3-11-22/h1-20H
InChIKeyAANCLMBIGYYDHF-UHFFFAOYSA-N
XLogP7.99
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile
CID 169284695
2-[9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155463317
4-[4-[4-(2-cyanophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 170664720
2-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 169284686
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
2,6-bis(2-carbazol-9-ylphenyl)-4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 137368880
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
4-[9-[2-[2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 155463043

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile (CID 175219290) is 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile is N#Cc1ccccc1-c1ccccc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is AANCLMBIGYYDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2/c32-21-24-12-4-5-13-25(24)26-14-6-8-16-29(26)33-30-17-9-7-15-27(30)28-20-23(18-19-31(28)33)22-10-2-1-3-11-22/h1-20H.
What are the key properties of 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 420.52 g/mol, XLogP of 7.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 175219290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).