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

C27H17BrClN3 — CID 137414552

IUPAC2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C27H17BrClN3/c28-23-15-22(16-24(29)17-23)27-31-25(20-9-5-2-6-10-20)30-26(32-27)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-17H
InChIKeyCRECCMVICOWERQ-UHFFFAOYSA-N
MW498.81 g/mol
LogP7.96
Rot. Bonds4

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

2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 137414552) has the molecular formula C27H17BrClN3 and a molecular weight of 498.81 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID137414552
Molecular FormulaC27H17BrClN3
Molecular Weight498.81 g/mol
Exact Mass497.03
IUPAC Name2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C27H17BrClN3/c28-23-15-22(16-24(29)17-23)27-31-25(20-9-5-2-6-10-20)30-26(32-27)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-17H
InChIKeyCRECCMVICOWERQ-UHFFFAOYSA-N
XLogP7.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.81
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 137414552) is 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is Clc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is CRECCMVICOWERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17BrClN3/c28-23-15-22(16-24(29)17-23)27-31-25(20-9-5-2-6-10-20)30-26(32-27)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-17H.
What are the key properties of 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 498.81 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 137414552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).