9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile

C44H26N4 — CID 155080592

IUPAC9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)c1
InChIInChI=1S/C44H26N4/c45-27-31-13-10-18-39-38-17-4-8-22-43(38)48(44(31)39)40-19-5-1-14-35(40)30-12-9-11-29(25-30)34-24-23-33(26-32(34)28-46)47-41-20-6-2-15-36(41)37-16-3-7-21-42(37)47/h1-26H
InChIKeyLQLFMENQRWIWJL-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile

9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 155080592) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
PubChem CID155080592
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)c1
InChIInChI=1S/C44H26N4/c45-27-31-13-10-18-39-38-17-4-8-22-43(38)48(44(31)39)40-19-5-1-14-35(40)30-12-9-11-29(25-30)34-24-23-33(26-32(34)28-46)47-41-20-6-2-15-36(41)37-16-3-7-21-42(37)47/h1-26H
InChIKeyLQLFMENQRWIWJL-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 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile 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-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080660
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155081310
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958111
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706
9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079598
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079630
9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656
9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079535

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile (CID 155080592) is 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)c1.
What is the InChIKey of 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is LQLFMENQRWIWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-31-13-10-18-39-38-17-4-8-22-43(38)48(44(31)39)40-19-5-1-14-35(40)30-12-9-11-29(25-30)34-24-23-33(26-32(34)28-46)47-41-20-6-2-15-36(41)37-16-3-7-21-42(37)47/h1-26H.
What are the key properties of 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile?
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile 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 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 155080592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).