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

C21H12BrCl2N3 — CID 135383459

IUPAC2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine
SMILESClc1cccc(-c2nc(-c3cccc(Cl)c3)nc(-c3cccc(Br)c3)n2)c1
InChIInChI=1S/C21H12BrCl2N3/c22-16-7-1-4-13(10-16)19-25-20(14-5-2-8-17(23)11-14)27-21(26-19)15-6-3-9-18(24)12-15/h1-12H
InChIKeyVSNYCLDNZBOUGX-UHFFFAOYSA-N
MW457.16 g/mol
LogP6.94
Rot. Bonds3

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

2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine (PubChem CID 135383459) has the molecular formula C21H12BrCl2N3 and a molecular weight of 457.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine
PubChem CID135383459
Molecular FormulaC21H12BrCl2N3
Molecular Weight457.16 g/mol
Exact Mass454.96
IUPAC Name2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine
SMILESClc1cccc(-c2nc(-c3cccc(Cl)c3)nc(-c3cccc(Br)c3)n2)c1
InChIInChI=1S/C21H12BrCl2N3/c22-16-7-1-4-13(10-16)19-25-20(14-5-2-8-17(23)11-14)27-21(26-19)15-6-3-9-18(24)12-15/h1-12H
InChIKeyVSNYCLDNZBOUGX-UHFFFAOYSA-N
XLogP6.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.16
LogP ≤ 56.94
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-bis(3-chlorophenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine (CID 135383459) is 2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine is Clc1cccc(-c2nc(-c3cccc(Cl)c3)nc(-c3cccc(Br)c3)n2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine?
The InChIKey is VSNYCLDNZBOUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrCl2N3/c22-16-7-1-4-13(10-16)19-25-20(14-5-2-8-17(23)11-14)27-21(26-19)15-6-3-9-18(24)12-15/h1-12H.
What are the key properties of 2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine?
2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine has a molecular weight of 457.16 g/mol, XLogP of 6.94, 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-bis(3-chlorophenyl)-1,3,5-triazine is sourced from PubChem (CID 135383459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).