9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile

C45H25N5 — CID 155079745

IUPAC9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1cccc(C#N)c1-c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C45H25N5/c46-26-29-19-24-42-39(25-29)38-15-7-10-32(28-48)45(38)50(42)43-18-8-9-31(27-47)44(43)37-14-2-1-11-34(37)30-20-22-33(23-21-30)49-40-16-5-3-12-35(40)36-13-4-6-17-41(36)49/h1-25H
InChIKeyYRPNIYHVCDXGEQ-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile

9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile (PubChem CID 155079745) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile.

Molecular Properties

Compound Name9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
PubChem CID155079745
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1cccc(C#N)c1-c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C45H25N5/c46-26-29-19-24-42-39(25-29)38-15-7-10-32(28-48)45(38)50(42)43-18-8-9-31(27-47)44(43)37-14-2-1-11-34(37)30-20-22-33(23-21-30)49-40-16-5-3-12-35(40)36-13-4-6-17-41(36)49/h1-25H
InChIKeyYRPNIYHVCDXGEQ-UHFFFAOYSA-N
XLogP10.83
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile 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-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
9-[3-cyano-2-[2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604119
9-[3-cyano-2-[2-[4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604423
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
9-[3-cyano-2-[2-[4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603584
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080053
9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080166
9-[4-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080563
9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079535
5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 155080571
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 158035726
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile?
The IUPAC name of 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile (CID 155079745) is 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile.
What is the SMILES notation for 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile?
The canonical SMILES for 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1cccc(C#N)c1-c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile?
The InChIKey is YRPNIYHVCDXGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-19-24-42-39(25-29)38-15-7-10-32(28-48)45(38)50(42)43-18-8-9-31(27-47)44(43)37-14-2-1-11-34(37)30-20-22-33(23-21-30)49-40-16-5-3-12-35(40)36-13-4-6-17-41(36)49/h1-25H.
What are the key properties of 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile?
9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile has a molecular weight of 635.73 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile is sourced from PubChem (CID 155079745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).