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

C27H17BrClN3 — CID 137414530

IUPAC2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C27H17BrClN3/c28-23-15-22(16-24(29)17-23)27-31-25(19-10-5-2-6-11-19)30-26(32-27)21-13-7-12-20(14-21)18-8-3-1-4-9-18/h1-17H
InChIKeyFFTPNCZRFQEHSI-UHFFFAOYSA-N
MW498.81 g/mol
LogP7.96
Rot. Bonds4

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

2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 137414530) 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-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID137414530
Molecular FormulaC27H17BrClN3
Molecular Weight498.81 g/mol
Exact Mass497.03
IUPAC Name2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C27H17BrClN3/c28-23-15-22(16-24(29)17-23)27-31-25(19-10-5-2-6-11-19)30-26(32-27)21-13-7-12-20(14-21)18-8-3-1-4-9-18/h1-17H
InChIKeyFFTPNCZRFQEHSI-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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Related Compounds

2-(3-Bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 44138766
2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 90135706
2-(3'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 90177101
2-(4'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 90177143
2-(3'-Chlorobiphenyl-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 91972125
2,4-Di(4-biphenylyl)-6-(3-bromophenyl)-1,3,5-triazine
CID 90401467
2-[3-Bromo-5-(fluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135763
2-(3-Bromo-5-chlorophenyl)-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 140308092
2-(3-Chloro-4-fluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158284047
2-(3-Chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 162501257
2-(5-Bromo-2-chlorophenyl)-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 167285940
2-([1,1'-Biphenyl]-4-yl)-4-(5-chloro-2-fluorophenyl)-6-phenyl-1,3,5-triazine
CID 168451003

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 137414530) is 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is Clc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is FFTPNCZRFQEHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17BrClN3/c28-23-15-22(16-24(29)17-23)27-31-25(19-10-5-2-6-11-19)30-26(32-27)21-13-7-12-20(14-21)18-8-3-1-4-9-18/h1-17H.
What are the key properties of 2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 137414530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).