2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

C46H24N6 — CID 155357604

IUPAC2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c3cccc(-c4c(C#N)cccc4C#N)c3n(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1
InChIInChI=1S/C46H24N6/c47-25-30-9-5-10-31(26-48)44(30)29-21-22-38-39-17-8-18-40(45-32(27-49)11-6-12-33(45)28-50)46(39)52(43(38)23-29)35-14-7-13-34(24-35)51-41-19-3-1-15-36(41)37-16-2-4-20-42(37)51/h1-24H
InChIKeyXJZLQXXLRRNPII-UHFFFAOYSA-N
MW660.74 g/mol
LogP10.70
Rot. Bonds4

About 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 155357604) has the molecular formula C46H24N6 and a molecular weight of 660.74 g/mol. Its IUPAC name is 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
PubChem CID155357604
Molecular FormulaC46H24N6
Molecular Weight660.74 g/mol
Exact Mass660.21
IUPAC Name2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c3cccc(-c4c(C#N)cccc4C#N)c3n(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1
InChIInChI=1S/C46H24N6/c47-25-30-9-5-10-31(26-48)44(30)29-21-22-38-39-17-8-18-40(45-32(27-49)11-6-12-33(45)28-50)46(39)52(43(38)23-29)35-14-7-13-34(24-35)51-41-19-3-1-15-36(41)37-16-2-4-20-42(37)51/h1-24H
InChIKeyXJZLQXXLRRNPII-UHFFFAOYSA-N
XLogP10.70
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.74
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]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

2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile
CID 139351898
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645736
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357432
2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
CID 147481564
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303675
9-[2-[3-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081646
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081621
9-[3-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080179
9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 154959166

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 155357604) is 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc2c3cccc(-c4c(C#N)cccc4C#N)c3n(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1.
What is the InChIKey of 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is XJZLQXXLRRNPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N6/c47-25-30-9-5-10-31(26-48)44(30)29-21-22-38-39-17-8-18-40(45-32(27-49)11-6-12-33(45)28-50)46(39)52(43(38)23-29)35-14-7-13-34(24-35)51-41-19-3-1-15-36(41)37-16-2-4-20-42(37)51/h1-24H.
What are the key properties of 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 660.74 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).