2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile

C38H25N5 — CID 171739726

IUPAC2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile
SMILESCc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(-c5ncc(C#N)cn5)cc4C#N)c3c2)c1
InChIInChI=1S/C38H25N5/c1-24-5-3-7-27(15-24)29-9-12-33-34-13-10-30(28-8-4-6-25(2)16-28)19-37(34)43(36(33)18-29)35-14-11-31(17-32(35)21-40)38-41-22-26(20-39)23-42-38/h3-19,22-23H,1-2H3
InChIKeyGZRGXYZMNHVJKK-UHFFFAOYSA-N
MW551.65 g/mol
LogP8.93
Rot. Bonds4

About 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile

2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile (PubChem CID 171739726) has the molecular formula C38H25N5 and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile
PubChem CID171739726
Molecular FormulaC38H25N5
Molecular Weight551.65 g/mol
Exact Mass551.21
IUPAC Name2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile
SMILESCc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(-c5ncc(C#N)cn5)cc4C#N)c3c2)c1
InChIInChI=1S/C38H25N5/c1-24-5-3-7-27(15-24)29-9-12-33-34-13-10-30(28-8-4-6-25(2)16-28)19-37(34)43(36(33)18-29)35-14-11-31(17-32(35)21-40)38-41-22-26(20-39)23-42-38/h3-19,22-23H,1-2H3
InChIKeyGZRGXYZMNHVJKK-UHFFFAOYSA-N
XLogP8.93
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-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

2-[3-cyano-4-(2,7-ditert-butylcarbazol-9-yl)phenyl]pyrimidine-5-carbonitrile
CID 171739753
2-[3-cyano-4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]pyrimidine-5-carbonitrile
CID 171739699
5-[4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-2-carbonitrile
CID 174343939
5-[4-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-2-carbonitrile
CID 165401521
4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508087
5-[3-cyano-4-[2-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile
CID 174343894
3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 161207738
2-[3-(5-cyanopyrimidin-2-yl)-4-[3-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]pyrimidine-5-carbonitrile
CID 171607162
9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 171607192
2-[3-cyano-4-[2-(2-cyano-4-isocyanophenyl)-7-(4-cyano-2-isocyanophenyl)carbazol-9-yl]phenyl]pyrimidine-5-carbonitrile
CID 171739730
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 155427496
3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 146238082

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile (CID 171739726) is 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile is Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(-c5ncc(C#N)cn5)cc4C#N)c3c2)c1.
What is the InChIKey of 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile?
The InChIKey is GZRGXYZMNHVJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5/c1-24-5-3-7-27(15-24)29-9-12-33-34-13-10-30(28-8-4-6-25(2)16-28)19-37(34)43(36(33)18-29)35-14-11-31(17-32(35)21-40)38-41-22-26(20-39)23-42-38/h3-19,22-23H,1-2H3.
What are the key properties of 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile?
2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile has a molecular weight of 551.65 g/mol, XLogP of 8.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 171739726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).