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

C27H18BrN3 — CID 90135706

IUPAC2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C27H18BrN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-18H
InChIKeyPLXPMZVMTNSXBA-UHFFFAOYSA-N
MW464.37 g/mol
LogP7.30
Rot. Bonds4

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

2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 90135706) has the molecular formula C27H18BrN3 and a molecular weight of 464.37 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID90135706
Molecular FormulaC27H18BrN3
Molecular Weight464.37 g/mol
Exact Mass463.07
IUPAC Name2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C27H18BrN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-18H
InChIKeyPLXPMZVMTNSXBA-UHFFFAOYSA-N
XLogP7.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 90135706) is 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is Brc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.
What is the InChIKey of 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PLXPMZVMTNSXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18BrN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-18H.
What are the key properties of 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 464.37 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 90135706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).