2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile

C44H26N4 — CID 155079503

IUPAC2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-25-33(38-15-9-10-31(28-46)44(38)48-42-18-7-3-13-36(42)37-14-4-8-19-43(37)48)39(26-29)30-21-23-32(24-22-30)47-40-16-5-1-11-34(40)35-12-2-6-17-41(35)47/h1-26H
InChIKeyOKGKLUBWKGWLCQ-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile

2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile (PubChem CID 155079503) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
PubChem CID155079503
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-25-33(38-15-9-10-31(28-46)44(38)48-42-18-7-3-13-36(42)37-14-4-8-19-43(37)48)39(26-29)30-21-23-32(24-22-30)47-40-16-5-1-11-34(40)35-12-2-6-17-41(35)47/h1-26H
InChIKeyOKGKLUBWKGWLCQ-UHFFFAOYSA-N
XLogP10.96
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]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

9-[4-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080563
9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079535
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155081747
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 155080619
2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)benzonitrile;2-carbazol-9-yl-5-(2-carbazol-9-ylphenyl)benzonitrile;3-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-carbazol-9-ylphenyl)benzonitrile;4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)benzonitrile
CID 165099700
2-carbazol-9-yl-3-(4-carbazol-9-yl-2-cyanophenyl)benzonitrile;3-carbazol-9-yl-4-(4-carbazol-9-yl-2-cyanophenyl)benzonitrile;3-carbazol-9-yl-4-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile;4-carbazol-9-yl-3-(4-carbazol-9-yl-2-cyanophenyl)benzonitrile;4-carbazol-9-yl-3-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 158193509
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[4-[2-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155604281
9-[4-[2-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155080638
2-carbazol-9-yl-3-[4-(3-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155079640
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081789
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile (CID 155079503) is 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile is N#Cc1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile?
The InChIKey is OKGKLUBWKGWLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-20-25-33(38-15-9-10-31(28-46)44(38)48-42-18-7-3-13-36(42)37-14-4-8-19-43(37)48)39(26-29)30-21-23-32(24-22-30)47-40-16-5-1-11-34(40)35-12-2-6-17-41(35)47/h1-26H.
What are the key properties of 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile?
2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile has a molecular weight of 610.72 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile is sourced from PubChem (CID 155079503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).