2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine

C28H19BrClN3 — CID 153322761

IUPAC2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3ncnc(-c4ccccc4)n3)c(-c3cc(Cl)cc(Br)c3)c2)cc1
InChIInChI=1S/C28H19BrClN3/c1-18-7-9-19(10-8-18)21-11-12-25(26(15-21)22-13-23(29)16-24(30)14-22)28-32-17-31-27(33-28)20-5-3-2-4-6-20/h2-17H,1H3
InChIKeyXLTIMHNPMLTWBE-UHFFFAOYSA-N
MW512.84 g/mol
LogP8.26
Rot. Bonds4

About 2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine

2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine (PubChem CID 153322761) has the molecular formula C28H19BrClN3 and a molecular weight of 512.84 g/mol. Its IUPAC name is 2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine
PubChem CID153322761
Molecular FormulaC28H19BrClN3
Molecular Weight512.84 g/mol
Exact Mass511.05
IUPAC Name2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3ncnc(-c4ccccc4)n3)c(-c3cc(Cl)cc(Br)c3)c2)cc1
InChIInChI=1S/C28H19BrClN3/c1-18-7-9-19(10-8-18)21-11-12-25(26(15-21)22-13-23(29)16-24(30)14-22)28-32-17-31-27(33-28)20-5-3-2-4-6-20/h2-17H,1H3
InChIKeyXLTIMHNPMLTWBE-UHFFFAOYSA-N
XLogP8.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.84
LogP ≤ 58.26
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
4,6-Bis(5-chlorobiphenyl-3-yl)-2-(3,5-dibromophenyl)-1,3,5-triazine
CID 58526512
2-(3-Chloro-5-phenylphenyl)-4-(3,5-dibromophenyl)-1,3,5-triazine
CID 67369266
CID 88915615
CID 88915615
2-(3-Bromo-5-phenylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 117683959
2-(11-Bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-4,6-diphenyl-1,3,5-triazine
CID 124112724
2-(3-Bromo-5-chlorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 124136988
2,4-Bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
CID 126503965
2-[4-(2-Bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 132273054
2-(3-Bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine
CID 135383459
2-(3-Bromo-5-chlorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 137414530
2-([1,1'-Biphenyl]-4-yl)-4-(3-bromo-5-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 137414552

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine (CID 153322761) is 2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine is Cc1ccc(-c2ccc(-c3ncnc(-c4ccccc4)n3)c(-c3cc(Cl)cc(Br)c3)c2)cc1.
What is the InChIKey of 2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine?
The InChIKey is XLTIMHNPMLTWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BrClN3/c1-18-7-9-19(10-8-18)21-11-12-25(26(15-21)22-13-23(29)16-24(30)14-22)28-32-17-31-27(33-28)20-5-3-2-4-6-20/h2-17H,1H3.
What are the key properties of 2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine?
2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine has a molecular weight of 512.84 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-5-chlorophenyl)-4-(4-methylphenyl)phenyl]-4-phenyl-1,3,5-triazine is sourced from PubChem (CID 153322761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).