4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile

C42H26N4 — CID 155081796

IUPAC4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cn1
InChIInChI=1S/C42H26N4/c43-26-28-21-23-30(45-39-17-7-2-12-32(39)33-13-3-8-18-40(33)45)25-36(28)37-24-22-29(27-44-37)31-11-1-6-16-38(31)46-41-19-9-4-14-34(41)35-15-5-10-20-42(35)46/h1-25,27H
InChIKeyYJSKKFCDMCCPJO-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.48
Rot. Bonds4

About 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile

4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile (PubChem CID 155081796) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile
PubChem CID155081796
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cn1
InChIInChI=1S/C42H26N4/c43-26-28-21-23-30(45-39-17-7-2-12-32(39)33-13-3-8-18-40(33)45)25-36(28)37-24-22-29(27-44-37)31-11-1-6-16-38(31)46-41-19-9-4-14-34(41)35-15-5-10-20-42(35)46/h1-25,27H
InChIKeyYJSKKFCDMCCPJO-UHFFFAOYSA-N
XLogP10.48
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]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-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
CID 155080790
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
3-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777
4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile
CID 146409612
9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958901
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
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546475
4-(2-carbazol-9-ylphenyl)-5-(4-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155080495
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155081382

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile (CID 155081796) is 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cn1.
What is the InChIKey of 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile?
The InChIKey is YJSKKFCDMCCPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c43-26-28-21-23-30(45-39-17-7-2-12-32(39)33-13-3-8-18-40(33)45)25-36(28)37-24-22-29(27-44-37)31-11-1-6-16-38(31)46-41-19-9-4-14-34(41)35-15-5-10-20-42(35)46/h1-25,27H.
What are the key properties of 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile?
4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile has a molecular weight of 586.70 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 155081796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).