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

C33H22ClN3 — CID 175256430

IUPAC2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1ccc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C33H22ClN3/c34-30-21-20-28(24-12-6-2-7-13-24)22-29(30)33-36-31(26-14-8-3-9-15-26)35-32(37-33)27-18-16-25(17-19-27)23-10-4-1-5-11-23/h1-22H
InChIKeyZCTNFDBGZARJAN-UHFFFAOYSA-N
MW496.01 g/mol
LogP8.86
Rot. Bonds5

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

2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 175256430) has the molecular formula C33H22ClN3 and a molecular weight of 496.01 g/mol. Its IUPAC name is 2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID175256430
Molecular FormulaC33H22ClN3
Molecular Weight496.01 g/mol
Exact Mass495.15
IUPAC Name2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1ccc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C33H22ClN3/c34-30-21-20-28(24-12-6-2-7-13-24)22-29(30)33-36-31(26-14-8-3-9-15-26)35-32(37-33)27-18-16-25(17-19-27)23-10-4-1-5-11-23/h1-22H
InChIKeyZCTNFDBGZARJAN-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-(2-chloro-5-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-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171854007
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 123986773
2-(2-chlorophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 142752418
2-(3-chloronaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155151397
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-(2,5-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 171052590
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 155450567

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 175256430) is 2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is Clc1ccc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is ZCTNFDBGZARJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClN3/c34-30-21-20-28(24-12-6-2-7-13-24)22-29(30)33-36-31(26-14-8-3-9-15-26)35-32(37-33)27-18-16-25(17-19-27)23-10-4-1-5-11-23/h1-22H.
What are the key properties of 2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(2-chloro-5-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-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 175256430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).