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

C38H23N3 — CID 122430955

IUPAC2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2ccccc2C#N)c1
InChIInChI=1S/C38H23N3/c39-24-28-10-1-3-14-31(28)27-20-21-33(36(23-27)32-15-4-2-11-29(32)25-40)26-12-9-13-30(22-26)41-37-18-7-5-16-34(37)35-17-6-8-19-38(35)41/h1-23H
InChIKeyBUQQHGSQHZSDMQ-UHFFFAOYSA-N
MW521.62 g/mol
LogP9.53
Rot. Bonds4

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

2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile (PubChem CID 122430955) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile
PubChem CID122430955
Molecular FormulaC38H23N3
Molecular Weight521.62 g/mol
Exact Mass521.19
IUPAC Name2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2ccccc2C#N)c1
InChIInChI=1S/C38H23N3/c39-24-28-10-1-3-14-31(28)27-20-21-33(36(23-27)32-15-4-2-11-29(32)25-40)26-12-9-13-30(22-26)41-37-18-7-5-16-34(37)35-17-6-8-19-38(35)41/h1-23H
InChIKeyBUQQHGSQHZSDMQ-UHFFFAOYSA-N
XLogP9.53
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079630
2-carbazol-9-yl-3-[4-(3-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155079640
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
CID 155080711
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081782
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile
CID 155079672
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile?
The IUPAC name of 2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile (CID 122430955) is 2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2ccccc2C#N)c1.
What is the InChIKey of 2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile?
The InChIKey is BUQQHGSQHZSDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3/c39-24-28-10-1-3-14-31(28)27-20-21-33(36(23-27)32-15-4-2-11-29(32)25-40)26-12-9-13-30(22-26)41-37-18-7-5-16-34(37)35-17-6-8-19-38(35)41/h1-23H.
What are the key properties of 2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile?
2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile has a molecular weight of 521.62 g/mol, XLogP of 9.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 122430955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).