2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine

C21H14ClN3 — CID 72698464

IUPAC2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H14ClN3/c22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-14H
InChIKeyOVNPUJOZNPAVJQ-UHFFFAOYSA-N
MW343.82 g/mol
LogP5.53
Rot. Bonds3

About 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine

2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 72698464) has the molecular formula C21H14ClN3 and a molecular weight of 343.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID72698464
Molecular FormulaC21H14ClN3
Molecular Weight343.82 g/mol
Exact Mass343.09
IUPAC Name2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H14ClN3/c22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-14H
InChIKeyOVNPUJOZNPAVJQ-UHFFFAOYSA-N
XLogP5.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.82
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine (CID 72698464) is 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine is Clc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OVNPUJOZNPAVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3/c22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-14H.
What are the key properties of 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine?
2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 343.82 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 72698464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).