5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

C32H23N3 — CID 138565570

IUPAC5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccncc4)c(C#N)cc3C)c2c1
InChIInChI=1S/C32H23N3/c1-21-7-3-4-8-26(21)24-11-12-28-27-9-5-6-10-30(27)35(32(28)18-24)31-19-29(23-13-15-34-16-14-23)25(20-33)17-22(31)2/h3-19H,1-2H3
InChIKeyXJIWJQILKPGVFD-UHFFFAOYSA-N
MW449.56 g/mol
LogP8.00
Rot. Bonds3

About 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (PubChem CID 138565570) has the molecular formula C32H23N3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
PubChem CID138565570
Molecular FormulaC32H23N3
Molecular Weight449.56 g/mol
Exact Mass449.19
IUPAC Name5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccncc4)c(C#N)cc3C)c2c1
InChIInChI=1S/C32H23N3/c1-21-7-3-4-8-26(21)24-11-12-28-27-9-5-6-10-30(27)35(32(28)18-24)31-19-29(23-13-15-34-16-14-23)25(20-33)17-22(31)2/h3-19H,1-2H3
InChIKeyXJIWJQILKPGVFD-UHFFFAOYSA-N
XLogP8.00
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile 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-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
CID 138565529
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole
CID 157242392
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565522
5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138566079
5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
CID 138565580
4,5-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 146617377
4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302157
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134296295
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (CID 138565570) is 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccncc4)c(C#N)cc3C)c2c1.
What is the InChIKey of 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The InChIKey is XJIWJQILKPGVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3/c1-21-7-3-4-8-26(21)24-11-12-28-27-9-5-6-10-30(27)35(32(28)18-24)31-19-29(23-13-15-34-16-14-23)25(20-33)17-22(31)2/h3-19H,1-2H3.
What are the key properties of 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile has a molecular weight of 449.56 g/mol, XLogP of 8.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138565570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).