5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile

C44H26N4 — CID 155080790

IUPAC5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1
InChIInChI=1S/C44H26N4/c45-27-30-21-23-32(47-40-16-6-2-12-35(40)36-13-3-7-17-41(36)47)26-39(30)29-22-24-33(31(25-29)28-46)34-11-1-8-18-42(34)48-43-19-9-4-14-37(43)38-15-5-10-20-44(38)48/h1-26H
InChIKeyQLOTZNPHQFERJY-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile

5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile (PubChem CID 155080790) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile.

Molecular Properties

Compound Name5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
PubChem CID155080790
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1
InChIInChI=1S/C44H26N4/c45-27-30-21-23-32(47-40-16-6-2-12-35(40)36-13-3-7-17-41(36)47)26-39(30)29-22-24-33(31(25-29)28-46)34-11-1-8-18-42(34)48-43-19-9-4-14-37(43)38-15-5-10-20-44(38)48/h1-26H
InChIKeyQLOTZNPHQFERJY-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 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)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

4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
3-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile
CID 155081796
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155081310
4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079511
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728

Frequently Asked Questions

What is the IUPAC name of 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile?
The IUPAC name of 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile (CID 155080790) is 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile.
What is the SMILES notation for 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile?
The canonical SMILES for 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile is N#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1.
What is the InChIKey of 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile?
The InChIKey is QLOTZNPHQFERJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-30-21-23-32(47-40-16-6-2-12-35(40)36-13-3-7-17-41(36)47)26-39(30)29-22-24-33(31(25-29)28-46)34-11-1-8-18-42(34)48-43-19-9-4-14-37(43)38-15-5-10-20-44(38)48/h1-26H.
What are the key properties of 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile?
5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)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 5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 155080790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).