2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C33H22ClN3 — CID 171854007

IUPAC2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1-c1ccccc1
InChIInChI=1S/C33H22ClN3/c34-30-21-20-28(22-29(30)25-12-6-2-7-13-25)33-36-31(26-14-8-3-9-15-26)35-32(37-33)27-18-16-24(17-19-27)23-10-4-1-5-11-23/h1-22H
InChIKeyKXPUPTLKLYFSLP-UHFFFAOYSA-N
MW496.01 g/mol
LogP8.86
Rot. Bonds5

About 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 171854007) has the molecular formula C33H22ClN3 and a molecular weight of 496.01 g/mol. Its IUPAC name is 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID171854007
Molecular FormulaC33H22ClN3
Molecular Weight496.01 g/mol
Exact Mass495.15
IUPAC Name2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1-c1ccccc1
InChIInChI=1S/C33H22ClN3/c34-30-21-20-28(22-29(30)25-12-6-2-7-13-25)33-36-31(26-14-8-3-9-15-26)35-32(37-33)27-18-16-24(17-19-27)23-10-4-1-5-11-23/h1-22H
InChIKeyKXPUPTLKLYFSLP-UHFFFAOYSA-N
XLogP8.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine 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-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 175256430
2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 155450567
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 155451259
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-(2,5-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 171052590
4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170004607
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052388

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 171854007) is 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1-c1ccccc1.
What is the InChIKey of 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is KXPUPTLKLYFSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClN3/c34-30-21-20-28(22-29(30)25-12-6-2-7-13-25)33-36-31(26-14-8-3-9-15-26)35-32(37-33)27-18-16-24(17-19-27)23-10-4-1-5-11-23/h1-22H.
What are the key properties of 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 496.01 g/mol, XLogP of 8.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171854007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).