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

C21H13Br2N3 — CID 58382615

IUPAC2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H13Br2N3/c22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15/h1-13H
InChIKeyDRQMSTXYCLCAHO-UHFFFAOYSA-N
MW467.16 g/mol
LogP6.40
Rot. Bonds3

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

2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 58382615) has the molecular formula C21H13Br2N3 and a molecular weight of 467.16 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID58382615
Molecular FormulaC21H13Br2N3
Molecular Weight467.16 g/mol
Exact Mass464.95
IUPAC Name2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H13Br2N3/c22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15/h1-13H
InChIKeyDRQMSTXYCLCAHO-UHFFFAOYSA-N
XLogP6.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.16
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dibromophenyl)-4,6-diphenyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine (CID 58382615) is 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine is Brc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DRQMSTXYCLCAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Br2N3/c22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine?
2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 467.16 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58382615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).