2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile

C30H21N5 — CID 134508120

IUPAC2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile
SMILESCc1nc(C)nc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cc2C#N)n1
InChIInChI=1S/C30H21N5/c1-19-32-20(2)34-30(33-19)25-15-13-24(16-23(25)18-31)35-28-11-7-6-10-26(28)27-14-12-22(17-29(27)35)21-8-4-3-5-9-21/h3-17H,1-2H3
InChIKeyIHEUHJHZCDPQKX-UHFFFAOYSA-N
MW451.53 g/mol
LogP6.79
Rot. Bonds3

About 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile

2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile (PubChem CID 134508120) has the molecular formula C30H21N5 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile
PubChem CID134508120
Molecular FormulaC30H21N5
Molecular Weight451.53 g/mol
Exact Mass451.18
IUPAC Name2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile
SMILESCc1nc(C)nc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cc2C#N)n1
InChIInChI=1S/C30H21N5/c1-19-32-20(2)34-30(33-19)25-15-13-24(16-23(25)18-31)35-28-11-7-6-10-26(28)27-14-12-22(17-29(27)35)21-8-4-3-5-9-21/h3-17H,1-2H3
InChIKeyIHEUHJHZCDPQKX-UHFFFAOYSA-N
XLogP6.79
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile 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-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512991
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657
2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile
CID 138736179
5-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476292
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 134476313
5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138579613
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 134508127
2-[2-cyano-4-(2,6-diphenylcarbazol-9-yl)phenyl]-5-(2,6-diphenylcarbazol-9-yl)benzonitrile;5-[3-cyano-4-(2,6-diphenylcarbazol-9-yl)phenyl]-2-(2,6-diphenylcarbazol-9-yl)benzonitrile
CID 159321187
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile
CID 134476238
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 126730512
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile (CID 134508120) is 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile is Cc1nc(C)nc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cc2C#N)n1.
What is the InChIKey of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile?
The InChIKey is IHEUHJHZCDPQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5/c1-19-32-20(2)34-30(33-19)25-15-13-24(16-23(25)18-31)35-28-11-7-6-10-26(28)27-14-12-22(17-29(27)35)21-8-4-3-5-9-21/h3-17H,1-2H3.
What are the key properties of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile?
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile has a molecular weight of 451.53 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 134508120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).