2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile

C62H38N4 — CID 138736179

IUPAC2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)ccc1-c1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1C#N
InChIInChI=1S/C62H38N4/c63-39-49-33-51(65-59-35-45(41-13-5-1-6-14-41)21-27-55(59)56-28-22-46(36-60(56)65)42-15-7-2-8-16-42)25-31-53(49)54-32-26-52(34-50(54)40-64)66-61-37-47(43-17-9-3-10-18-43)23-29-57(61)58-30-24-48(38-62(58)66)44-19-11-4-12-20-44/h1-38H
InChIKeyXUFJZRGQMCPPKX-UHFFFAOYSA-N
MW839.01 g/mol
LogP15.96
Rot. Bonds7

About 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile

2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile (PubChem CID 138736179) has the molecular formula C62H38N4 and a molecular weight of 839.01 g/mol. Its IUPAC name is 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile
PubChem CID138736179
Molecular FormulaC62H38N4
Molecular Weight839.01 g/mol
Exact Mass838.31
IUPAC Name2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)ccc1-c1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1C#N
InChIInChI=1S/C62H38N4/c63-39-49-33-51(65-59-35-45(41-13-5-1-6-14-41)21-27-55(59)56-28-22-46(36-60(56)65)42-15-7-2-8-16-42)25-31-53(49)54-32-26-52(34-50(54)40-64)66-61-37-47(43-17-9-3-10-18-43)23-29-57(61)58-30-24-48(38-62(58)66)44-19-11-4-12-20-44/h1-38H
InChIKeyXUFJZRGQMCPPKX-UHFFFAOYSA-N
XLogP15.96
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.01
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)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-[2-cyano-4-(2,6-diphenylcarbazol-9-yl)phenyl]-5-(2,6-diphenylcarbazol-9-yl)benzonitrile;5-[3-cyano-4-(2,6-diphenylcarbazol-9-yl)phenyl]-2-(2,6-diphenylcarbazol-9-yl)benzonitrile
CID 159321187
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508120
4-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122418234
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512991
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 126730512
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138579613
5-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 126730529
5-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476292
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile (CID 138736179) is 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile is N#Cc1cc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)ccc1-c1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1C#N.
What is the InChIKey of 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile?
The InChIKey is XUFJZRGQMCPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4/c63-39-49-33-51(65-59-35-45(41-13-5-1-6-14-41)21-27-55(59)56-28-22-46(36-60(56)65)42-15-7-2-8-16-42)25-31-53(49)54-32-26-52(34-50(54)40-64)66-61-37-47(43-17-9-3-10-18-43)23-29-57(61)58-30-24-48(38-62(58)66)44-19-11-4-12-20-44/h1-38H.
What are the key properties of 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile?
2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile has a molecular weight of 839.01 g/mol, XLogP of 15.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 138736179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).