9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile

C51H28N6 — CID 154958735

IUPAC9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2C#N)c1
InChIInChI=1S/C51H28N6/c52-29-32-21-25-49(42(26-32)36-23-22-35(28-34(36)31-54)55-44-15-5-4-13-40(44)43-27-33(30-53)20-24-48(43)55)57-47-18-8-3-12-39(47)41-14-9-19-50(51(41)57)56-45-16-6-1-10-37(45)38-11-2-7-17-46(38)56/h1-28H
InChIKeyYAXIZEXDCPDDSI-UHFFFAOYSA-N
MW724.83 g/mol
LogP12.26
Rot. Bonds4

About 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile

9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 154958735) has the molecular formula C51H28N6 and a molecular weight of 724.83 g/mol. Its IUPAC name is 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
PubChem CID154958735
Molecular FormulaC51H28N6
Molecular Weight724.83 g/mol
Exact Mass724.24
IUPAC Name9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2C#N)c1
InChIInChI=1S/C51H28N6/c52-29-32-21-25-49(42(26-32)36-23-22-35(28-34(36)31-54)55-44-15-5-4-13-40(44)43-27-33(30-53)20-24-48(43)55)57-47-18-8-3-12-39(47)41-14-9-19-50(51(41)57)56-45-16-6-1-10-37(45)38-11-2-7-17-46(38)56/h1-28H
InChIKeyYAXIZEXDCPDDSI-UHFFFAOYSA-N
XLogP12.26
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.83
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]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-[3-cyano-4-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080021
4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079511
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080660
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744010
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile (CID 154958735) is 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2C#N)c1.
What is the InChIKey of 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is YAXIZEXDCPDDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N6/c52-29-32-21-25-49(42(26-32)36-23-22-35(28-34(36)31-54)55-44-15-5-4-13-40(44)43-27-33(30-53)20-24-48(43)55)57-47-18-8-3-12-39(47)41-14-9-19-50(51(41)57)56-45-16-6-1-10-37(45)38-11-2-7-17-46(38)56/h1-28H.
What are the key properties of 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile?
9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile has a molecular weight of 724.83 g/mol, XLogP of 12.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).