3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile

C44H26N4 — CID 155079600

IUPAC3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C44H26N4/c45-27-30-24-25-32(29-12-11-13-31(26-29)47-39-19-6-1-14-33(39)34-15-2-7-20-40(34)47)44(38(30)28-46)37-18-5-10-23-43(37)48-41-21-8-3-16-35(41)36-17-4-9-22-42(36)48/h1-26H
InChIKeyHNELGWPEWNIAKC-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile

3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile (PubChem CID 155079600) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
PubChem CID155079600
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C44H26N4/c45-27-30-24-25-32(29-12-11-13-31(26-29)47-39-19-6-1-14-33(39)34-15-2-7-20-40(34)47)44(38(30)28-46)37-18-5-10-23-43(37)48-41-21-8-3-16-35(41)36-17-4-9-22-42(36)48/h1-26H
InChIKeyHNELGWPEWNIAKC-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 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-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

4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081631
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 155081407
9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079598
4-(2-carbazol-9-ylphenyl)-2-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155604943
3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081614
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzene-1,3-dicarbonitrile
CID 155081385
2-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,4-dicarbonitrile
CID 155080920
9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155080518

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile (CID 155079600) is 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile is N#Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1C#N.
What is the InChIKey of 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile?
The InChIKey is HNELGWPEWNIAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-30-24-25-32(29-12-11-13-31(26-29)47-39-19-6-1-14-33(39)34-15-2-7-20-40(34)47)44(38(30)28-46)37-18-5-10-23-43(37)48-41-21-8-3-16-35(41)36-17-4-9-22-42(36)48/h1-26H.
What are the key properties of 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile?
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile 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 3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 155079600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).