2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine

C28H19Br2N3 — CID 126503965

IUPAC2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2cccc(-c3nc(-c4cccc(Br)c4)nc(-c4cccc(Br)c4)n3)c2)cc1
InChIInChI=1S/C28H19Br2N3/c1-18-11-13-19(14-12-18)20-5-2-6-21(15-20)26-31-27(22-7-3-9-24(29)16-22)33-28(32-26)23-8-4-10-25(30)17-23/h2-17H,1H3
InChIKeyOMZFUQYFSKVRDA-UHFFFAOYSA-N
MW557.29 g/mol
LogP8.37
Rot. Bonds4

About 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine

2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine (PubChem CID 126503965) has the molecular formula C28H19Br2N3 and a molecular weight of 557.29 g/mol. Its IUPAC name is 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
PubChem CID126503965
Molecular FormulaC28H19Br2N3
Molecular Weight557.29 g/mol
Exact Mass554.99
IUPAC Name2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2cccc(-c3nc(-c4cccc(Br)c4)nc(-c4cccc(Br)c4)n3)c2)cc1
InChIInChI=1S/C28H19Br2N3/c1-18-11-13-19(14-12-18)20-5-2-6-21(15-20)26-31-27(22-7-3-9-24(29)16-22)33-28(32-26)23-8-4-10-25(30)17-23/h2-17H,1H3
InChIKeyOMZFUQYFSKVRDA-UHFFFAOYSA-N
XLogP8.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.29
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine (CID 126503965) is 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine is Cc1ccc(-c2cccc(-c3nc(-c4cccc(Br)c4)nc(-c4cccc(Br)c4)n3)c2)cc1.
What is the InChIKey of 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is OMZFUQYFSKVRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Br2N3/c1-18-11-13-19(14-12-18)20-5-2-6-21(15-20)26-31-27(22-7-3-9-24(29)16-22)33-28(32-26)23-8-4-10-25(30)17-23/h2-17H,1H3.
What are the key properties of 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine?
2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 557.29 g/mol, XLogP of 8.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-bromophenyl)-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 126503965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).