2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile

C42H26N4 — CID 139523878

IUPAC2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3ccncc3-n3c4ccccc4c4ccccc43)c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H26N4/c43-26-30-13-10-18-32(42(30)46-39-21-7-3-16-35(39)36-17-4-8-22-40(36)46)29-12-9-11-28(25-29)31-23-24-44-27-41(31)45-37-19-5-1-14-33(37)34-15-2-6-20-38(34)45/h1-25,27H
InChIKeyRQIZNWXYWXDZCU-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.48
Rot. Bonds4

About 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile

2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile (PubChem CID 139523878) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile
PubChem CID139523878
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3ccncc3-n3c4ccccc4c4ccccc43)c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H26N4/c43-26-30-13-10-18-32(42(30)46-39-21-7-3-16-35(39)36-17-4-8-22-40(36)46)29-12-9-11-28(25-29)31-23-24-44-27-41(31)45-37-19-5-1-14-33(37)34-15-2-6-20-38(34)45/h1-25,27H
InChIKeyRQIZNWXYWXDZCU-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 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)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

2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523629
2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336323
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
9-(4-phenyl-3-pyridinyl)carbazole
CID 145009934
2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile
CID 153366425
2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile
CID 155604034
2-carbazol-9-yl-3-[4-(3-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155079640
3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile
CID 139523787
3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 163719640
3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523628
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081730

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile (CID 139523878) is 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile is N#Cc1cccc(-c2cccc(-c3ccncc3-n3c4ccccc4c4ccccc43)c2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile?
The InChIKey is RQIZNWXYWXDZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c43-26-30-13-10-18-32(42(30)46-39-21-7-3-16-35(39)36-17-4-8-22-40(36)46)29-12-9-11-28(25-29)31-23-24-44-27-41(31)45-37-19-5-1-14-33(37)34-15-2-6-20-38(34)45/h1-25,27H.
What are the key properties of 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile?
2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]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 2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile is sourced from PubChem (CID 139523878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).