2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile

C32H19N3 — CID 155357795

IUPAC2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c3cc(-c4ccccc4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C32H19N3/c33-20-25-10-7-11-26(21-34)32(25)24-14-16-28-29-18-23(22-8-3-1-4-9-22)15-17-30(29)35(31(28)19-24)27-12-5-2-6-13-27/h1-19H
InChIKeyPIAOSEJVKCLQDZ-UHFFFAOYSA-N
MW445.53 g/mol
LogP7.86
Rot. Bonds3

About 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile

2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile (PubChem CID 155357795) has the molecular formula C32H19N3 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
PubChem CID155357795
Molecular FormulaC32H19N3
Molecular Weight445.53 g/mol
Exact Mass445.16
IUPAC Name2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c3cc(-c4ccccc4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C32H19N3/c33-20-25-10-7-11-26(21-34)32(25)24-14-16-28-29-18-23(22-8-3-1-4-9-22)15-17-30(29)35(31(28)19-24)27-12-5-2-6-13-27/h1-19H
InChIKeyPIAOSEJVKCLQDZ-UHFFFAOYSA-N
XLogP7.86
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile 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-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile
CID 155645732
4-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122418234
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357395
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122414420
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407

Frequently Asked Questions

What is the IUPAC name of 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile (CID 155357795) is 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc2c3cc(-c4ccccc4)ccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile?
The InChIKey is PIAOSEJVKCLQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3/c33-20-25-10-7-11-26(21-34)32(25)24-14-16-28-29-18-23(22-8-3-1-4-9-22)15-17-30(29)35(31(28)19-24)27-12-5-2-6-13-27/h1-19H.
What are the key properties of 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile?
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile has a molecular weight of 445.53 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).