9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile

C38H20N6 — CID 137388859

IUPAC9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccnc2)c(-n2c3ccccc3c3cc(C#N)ccc32)cc1C#N
InChIInChI=1S/C38H20N6/c39-20-24-11-13-35-31(16-24)28-7-1-3-9-33(28)43(35)37-19-30(26-6-5-15-42-23-26)38(18-27(37)22-41)44-34-10-4-2-8-29(34)32-17-25(21-40)12-14-36(32)44/h1-19,23H
InChIKeyODFBFNHKFREGFQ-UHFFFAOYSA-N
MW560.62 g/mol
LogP8.56
Rot. Bonds3

About 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile

9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile (PubChem CID 137388859) has the molecular formula C38H20N6 and a molecular weight of 560.62 g/mol. Its IUPAC name is 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
PubChem CID137388859
Molecular FormulaC38H20N6
Molecular Weight560.62 g/mol
Exact Mass560.17
IUPAC Name9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccnc2)c(-n2c3ccccc3c3cc(C#N)ccc32)cc1C#N
InChIInChI=1S/C38H20N6/c39-20-24-11-13-35-31(16-24)28-7-1-3-9-33(28)43(35)37-19-30(26-6-5-15-42-23-26)38(18-27(37)22-41)44-34-10-4-2-8-29(34)32-17-25(21-40)12-14-36(32)44/h1-19,23H
InChIKeyODFBFNHKFREGFQ-UHFFFAOYSA-N
XLogP8.56
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.62
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile 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-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 166785139
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166785159
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 138579059
9-[2-cyano-4-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 155217704
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
9-[5-cyano-2-(3-cyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217697
9-[2-cyano-5-(3-cyanophenyl)-4-(3-isocyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 155646735
5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538845
9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542601
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
2-carbazol-9-yl-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080653

Frequently Asked Questions

What is the IUPAC name of 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile (CID 137388859) is 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccnc2)c(-n2c3ccccc3c3cc(C#N)ccc32)cc1C#N.
What is the InChIKey of 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile?
The InChIKey is ODFBFNHKFREGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N6/c39-20-24-11-13-35-31(16-24)28-7-1-3-9-33(28)43(35)37-19-30(26-6-5-15-42-23-26)38(18-27(37)22-41)44-34-10-4-2-8-29(34)32-17-25(21-40)12-14-36(32)44/h1-19,23H.
What are the key properties of 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile?
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile has a molecular weight of 560.62 g/mol, XLogP of 8.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 137388859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).