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

C25H15BrClN3 — CID 145377699

IUPAC2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c(Br)c1
InChIInChI=1S/C25H15BrClN3/c26-22-15-20(27)12-13-21(22)25-29-23(17-7-2-1-3-8-17)28-24(30-25)19-11-10-16-6-4-5-9-18(16)14-19/h1-15H
InChIKeyIOEHILKVXMECJM-UHFFFAOYSA-N
MW472.77 g/mol
LogP7.44
Rot. Bonds3

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

2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 145377699) has the molecular formula C25H15BrClN3 and a molecular weight of 472.77 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID145377699
Molecular FormulaC25H15BrClN3
Molecular Weight472.77 g/mol
Exact Mass471.01
IUPAC Name2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c(Br)c1
InChIInChI=1S/C25H15BrClN3/c26-22-15-20(27)12-13-21(22)25-29-23(17-7-2-1-3-8-17)28-24(30-25)19-11-10-16-6-4-5-9-18(16)14-19/h1-15H
InChIKeyIOEHILKVXMECJM-UHFFFAOYSA-N
XLogP7.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.77
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloronaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 129263325
2-[4-(3-chlorophenyl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166916408
2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 163296684
2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154696620
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267901
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164745875
2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene
CID 170343063
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 145377699) is 2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is IOEHILKVXMECJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrClN3/c26-22-15-20(27)12-13-21(22)25-29-23(17-7-2-1-3-8-17)28-24(30-25)19-11-10-16-6-4-5-9-18(16)14-19/h1-15H.
What are the key properties of 2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 472.77 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 145377699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).