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

C21H13BrClN3 — CID 163296684

IUPAC2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3Br)n2)cc1
InChIInChI=1S/C21H13BrClN3/c22-18-9-5-4-8-17(18)21-25-19(14-6-2-1-3-7-14)24-20(26-21)15-10-12-16(23)13-11-15/h1-13H
InChIKeyPYIYBUQEIRXMLP-UHFFFAOYSA-N
MW422.71 g/mol
LogP6.29
Rot. Bonds3

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

2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine (PubChem CID 163296684) has the molecular formula C21H13BrClN3 and a molecular weight of 422.71 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
PubChem CID163296684
Molecular FormulaC21H13BrClN3
Molecular Weight422.71 g/mol
Exact Mass421.00
IUPAC Name2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3Br)n2)cc1
InChIInChI=1S/C21H13BrClN3/c22-18-9-5-4-8-17(18)21-25-19(14-6-2-1-3-7-14)24-20(26-21)15-10-12-16(23)13-11-15/h1-13H
InChIKeyPYIYBUQEIRXMLP-UHFFFAOYSA-N
XLogP6.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.71
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155151393
2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 145377699
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
2-[5-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]phenyl]phenyl]-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 154967458
2-[3-(4-chlorophenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 154697410
2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425266
2-(4-chlorophenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425295
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146415001
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 168801574
2-(4-chloro-2-phenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155450368

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine (CID 163296684) is 2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3Br)n2)cc1.
What is the InChIKey of 2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is PYIYBUQEIRXMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrClN3/c22-18-9-5-4-8-17(18)21-25-19(14-6-2-1-3-7-14)24-20(26-21)15-10-12-16(23)13-11-15/h1-13H.
What are the key properties of 2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine?
2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 422.71 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163296684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).