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

C21H14BrN3 — CID 58943302

IUPAC2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H14BrN3/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
InChIKeyHNZUKQQNZRMNGS-UHFFFAOYSA-N
MW388.27 g/mol
LogP5.64
Rot. Bonds3

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

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 58943302) has the molecular formula C21H14BrN3 and a molecular weight of 388.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID58943302
Molecular FormulaC21H14BrN3
Molecular Weight388.27 g/mol
Exact Mass387.04
IUPAC Name2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H14BrN3/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
InChIKeyHNZUKQQNZRMNGS-UHFFFAOYSA-N
XLogP5.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.27
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine (CID 58943302) is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HNZUKQQNZRMNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3/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-bromophenyl)-4,6-diphenyl-1,3,5-triazine?
2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 388.27 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58943302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).