5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile

C62H39N5 — CID 163927209

IUPAC5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2c(-n3c4c(c5ccccc53)C=CCC4)c(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c(-c3ccccc3)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C62H39N5/c63-38-40-35-41(39-64)37-44(36-40)59-61(66-53-31-15-9-25-47(53)48-26-10-16-32-54(48)66)57(42-19-3-1-4-20-42)60(65-51-29-13-7-23-45(51)46-24-8-14-30-52(46)65)58(43-21-5-2-6-22-43)62(59)67-55-33-17-11-27-49(55)50-28-12-18-34-56(50)67/h1-17,19-33,35-37H,18,34H2
InChIKeyRFNINIMNTGYGGW-UHFFFAOYSA-N
MW854.03 g/mol
LogP15.53
Rot. Bonds6

About 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile

5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile (PubChem CID 163927209) has the molecular formula C62H39N5 and a molecular weight of 854.03 g/mol. Its IUPAC name is 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
PubChem CID163927209
Molecular FormulaC62H39N5
Molecular Weight854.03 g/mol
Exact Mass853.32
IUPAC Name5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2c(-n3c4c(c5ccccc53)C=CCC4)c(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c(-c3ccccc3)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C62H39N5/c63-38-40-35-41(39-64)37-44(36-40)59-61(66-53-31-15-9-25-47(53)48-26-10-16-32-54(48)66)57(42-19-3-1-4-20-42)60(65-51-29-13-7-23-45(51)46-24-8-14-30-52(46)65)58(43-21-5-2-6-22-43)62(59)67-55-33-17-11-27-49(55)50-28-12-18-34-56(50)67/h1-17,19-33,35-37H,18,34H2
InChIKeyRFNINIMNTGYGGW-UHFFFAOYSA-N
XLogP15.53
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.03
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-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

5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
3,5-bis(3-tert-butylcarbazol-9-yl)-2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)benzonitrile
CID 163657279
2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 163584925
3-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 146614802
4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
CID 166727336
9-[5-cyano-2-[3-cyano-5-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 167280770
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile
CID 134217246
2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile
CID 155086412

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile (CID 163927209) is 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2c(-n3c4c(c5ccccc53)C=CCC4)c(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c(-c3ccccc3)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile?
The InChIKey is RFNINIMNTGYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N5/c63-38-40-35-41(39-64)37-44(36-40)59-61(66-53-31-15-9-25-47(53)48-26-10-16-32-54(48)66)57(42-19-3-1-4-20-42)60(65-51-29-13-7-23-45(51)46-24-8-14-30-52(46)65)58(43-21-5-2-6-22-43)62(59)67-55-33-17-11-27-49(55)50-28-12-18-34-56(50)67/h1-17,19-33,35-37H,18,34H2.
What are the key properties of 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile?
5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile has a molecular weight of 854.03 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 163927209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).