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

C124H76N8 — CID 159321187

IUPAC2-[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
SMILESN#Cc1cc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4ccc(-c5ccccc5)cc43)c(C#N)c2)ccc1-n1c2ccc(-c3ccccc3)cc2c2ccc(-c3ccccc3)cc21.N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3ccc(-c4ccccc4)cc32)ccc1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3ccc(-c4ccccc4)cc32)cc1C#N
InChIInChI=1S/2C62H38N4/c63-39-49-33-51(65-59-31-23-45(41-13-5-1-6-14-41)35-57(59)55-27-21-47(37-61(55)65)43-17-9-3-10-18-43)25-29-53(49)54-30-26-52(34-50(54)40-64)66-60-32-24-46(42-15-7-2-8-16-42)36-58(60)56-28-22-48(38-62(56)66)44-19-11-4-12-20-44;63-39-51-33-45(23-29-57(51)65-59-31-25-47(41-13-5-1-6-14-41)35-55(59)53-27-21-49(37-61(53)65)43-17-9-3-10-18-43)46-24-30-58(52(34-46)40-64)66-60-32-26-48(42-15-7-2-8-16-42)36-56(60)54-28-22-50(38-62(54)66)44-19-11-4-12-20-44/h2*1-38H
InChIKeyLDUANSXWLLGMBR-UHFFFAOYSA-N
MW1678.03 g/mol
LogP31.92
Rot. Bonds14

About 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

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 (PubChem CID 159321187) has the molecular formula C124H76N8 and a molecular weight of 1678.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159321187
Molecular FormulaC124H76N8
Molecular Weight1678.03 g/mol
Exact Mass1676.62
IUPAC Name2-[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
SMILESN#Cc1cc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4ccc(-c5ccccc5)cc43)c(C#N)c2)ccc1-n1c2ccc(-c3ccccc3)cc2c2ccc(-c3ccccc3)cc21.N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3ccc(-c4ccccc4)cc32)ccc1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3ccc(-c4ccccc4)cc32)cc1C#N
InChIInChI=1S/2C62H38N4/c63-39-49-33-51(65-59-31-23-45(41-13-5-1-6-14-41)35-57(59)55-27-21-47(37-61(55)65)43-17-9-3-10-18-43)25-29-53(49)54-30-26-52(34-50(54)40-64)66-60-32-24-46(42-15-7-2-8-16-42)36-58(60)56-28-22-48(38-62(56)66)44-19-11-4-12-20-44;63-39-51-33-45(23-29-57(51)65-59-31-25-47(41-13-5-1-6-14-41)35-55(59)53-27-21-49(37-61(53)65)43-17-9-3-10-18-43)46-24-30-58(52(34-46)40-64)66-60-32-26-48(42-15-7-2-8-16-42)36-56(60)54-28-22-50(38-62(54)66)44-19-11-4-12-20-44/h2*1-38H
InChIKeyLDUANSXWLLGMBR-UHFFFAOYSA-N
XLogP31.92
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001678.03
LogP ≤ 531.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile
CID 138736179
4-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122418234
9-[9-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]carbazol-3-yl]carbazole-2-carbonitrile
CID 154958176
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508120
4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744010
2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 126734578
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
CID 140903142
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4ccc(-c5ccccc5)cc43)c(C#N)c2)ccc1-n1c2ccc(-c3ccccc3)cc2c2ccc(-c3ccccc3)cc21.N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3ccc(-c4ccccc4)cc32)ccc1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3ccc(-c4ccccc4)cc32)cc1C#N.
What is the InChIKey of 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?
The InChIKey is LDUANSXWLLGMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H38N4/c63-39-49-33-51(65-59-31-23-45(41-13-5-1-6-14-41)35-57(59)55-27-21-47(37-61(55)65)43-17-9-3-10-18-43)25-29-53(49)54-30-26-52(34-50(54)40-64)66-60-32-24-46(42-15-7-2-8-16-42)36-58(60)56-28-22-48(38-62(56)66)44-19-11-4-12-20-44;63-39-51-33-45(23-29-57(51)65-59-31-25-47(41-13-5-1-6-14-41)35-55(59)53-27-21-49(37-61(53)65)43-17-9-3-10-18-43)46-24-30-58(52(34-46)40-64)66-60-32-26-48(42-15-7-2-8-16-42)36-56(60)54-28-22-50(38-62(54)66)44-19-11-4-12-20-44/h2*1-38H.
What are the key properties of 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?
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 has a molecular weight of 1678.03 g/mol, XLogP of 31.92, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159321187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).