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

C30H21N5 — CID 134508080

IUPAC3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
SMILESCc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)n1
InChIInChI=1S/C30H21N5/c1-19-32-20(2)34-30(33-19)26-16-21(18-31)12-15-28(26)35-27-11-7-6-10-24(27)25-14-13-23(17-29(25)35)22-8-4-3-5-9-22/h3-17H,1-2H3
InChIKeyIXAXZRIBDLFBIL-UHFFFAOYSA-N
MW451.53 g/mol
LogP6.79
Rot. Bonds3

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

3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile (PubChem CID 134508080) has the molecular formula C30H21N5 and a molecular weight of 451.53 g/mol. Its IUPAC name is 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
PubChem CID134508080
Molecular FormulaC30H21N5
Molecular Weight451.53 g/mol
Exact Mass451.18
IUPAC Name3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
SMILESCc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)n1
InChIInChI=1S/C30H21N5/c1-19-32-20(2)34-30(33-19)26-16-21(18-31)12-15-28(26)35-27-11-7-6-10-24(27)25-14-13-23(17-29(25)35)22-8-4-3-5-9-22/h3-17H,1-2H3
InChIKeyIXAXZRIBDLFBIL-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 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(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

4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508087
3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile
CID 138713564
5-[9-[4-cyano-2-[4-[5-cyano-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138712671
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657
4-[3-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164743992
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476186
5-[9-[4-(4-cyanophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142577639
5-[9-[2-[4-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138713577
3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476151
4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421368
5-[9-[4-cyano-2-[4-[5-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138712673
3-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421286

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile (CID 134508080) is 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile is Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)n1.
What is the InChIKey of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile?
The InChIKey is IXAXZRIBDLFBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5/c1-19-32-20(2)34-30(33-19)26-16-21(18-31)12-15-28(26)35-27-11-7-6-10-24(27)25-14-13-23(17-29(25)35)22-8-4-3-5-9-22/h3-17H,1-2H3.
What are the key properties of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile?
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(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 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 134508080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).