2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile

C39H24N4 — CID 122414448

IUPAC2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
SMILESCc1c(C#N)ccc(C#N)c1-n1c2ccccc2c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc21
InChIInChI=1S/C39H24N4/c1-25-27(23-40)18-19-28(24-41)39(25)43-35-16-8-6-13-32(35)38-30(14-9-17-37(38)43)26-20-21-36-33(22-26)31-12-5-7-15-34(31)42(36)29-10-3-2-4-11-29/h2-22H,1H3
InChIKeyQOXFSEQJNKVOJA-UHFFFAOYSA-N
MW548.65 g/mol
LogP9.60
Rot. Bonds3

About 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile

2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile (PubChem CID 122414448) has the molecular formula C39H24N4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
PubChem CID122414448
Molecular FormulaC39H24N4
Molecular Weight548.65 g/mol
Exact Mass548.20
IUPAC Name2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
SMILESCc1c(C#N)ccc(C#N)c1-n1c2ccccc2c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc21
InChIInChI=1S/C39H24N4/c1-25-27(23-40)18-19-28(24-41)39(25)43-35-16-8-6-13-32(35)38-30(14-9-17-37(38)43)26-20-21-36-33(22-26)31-12-5-7-15-34(31)42(36)29-10-3-2-4-11-29/h2-22H,1H3
InChIKeyQOXFSEQJNKVOJA-UHFFFAOYSA-N
XLogP9.60
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-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-methyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418402
2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 122414489
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
2-[3-tert-butyl-5-(6-tert-butyl-9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418240
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 159576934
3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
CID 134597736

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile (CID 122414448) is 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile is Cc1c(C#N)ccc(C#N)c1-n1c2ccccc2c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc21.
What is the InChIKey of 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The InChIKey is QOXFSEQJNKVOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4/c1-25-27(23-40)18-19-28(24-41)39(25)43-35-16-8-6-13-32(35)38-30(14-9-17-37(38)43)26-20-21-36-33(22-26)31-12-5-7-15-34(31)42(36)29-10-3-2-4-11-29/h2-22H,1H3.
What are the key properties of 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile has a molecular weight of 548.65 g/mol, XLogP of 9.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 122414448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).