9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile

C33H18N4 — CID 126761640

IUPAC9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-c2cccc(-c3ccccc3)c2)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C33H18N4/c34-19-22-9-11-32-30(15-22)31-16-23(20-35)10-12-33(31)37(32)29-14-24(21-36)13-28(18-29)27-8-4-7-26(17-27)25-5-2-1-3-6-25/h1-18H
InChIKeyDGNPWNCOCWJUHP-UHFFFAOYSA-N
MW470.54 g/mol
LogP7.73
Rot. Bonds3

About 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile

9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 126761640) has the molecular formula C33H18N4 and a molecular weight of 470.54 g/mol. Its IUPAC name is 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
PubChem CID126761640
Molecular FormulaC33H18N4
Molecular Weight470.54 g/mol
Exact Mass470.15
IUPAC Name9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-c2cccc(-c3ccccc3)c2)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C33H18N4/c34-19-22-9-11-32-30(15-22)31-16-23(20-35)10-12-33(31)37(32)29-14-24(21-36)13-28(18-29)27-8-4-7-26(17-27)25-5-2-1-3-6-25/h1-18H
InChIKeyDGNPWNCOCWJUHP-UHFFFAOYSA-N
XLogP7.73
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-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

9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761643
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
9-[3-cyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole-3,6-dicarbonitrile
CID 126761763
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991
9-[3-cyano-5-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 126761669
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
9-[2-[3-[3-cyano-5-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155081790
4-[3,5-bis(2,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 148822531

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile (CID 126761640) is 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile is N#Cc1cc(-c2cccc(-c3ccccc3)c2)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is DGNPWNCOCWJUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4/c34-19-22-9-11-32-30(15-22)31-16-23(20-35)10-12-33(31)37(32)29-14-24(21-36)13-28(18-29)27-8-4-7-26(17-27)25-5-2-1-3-6-25/h1-18H.
What are the key properties of 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile?
9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 470.54 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 126761640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).