4-(4-bromophenyl)-2,6-diphenylpyridine

C46H32Br2N2 — CID 146636507

IUPAC4-(4-bromophenyl)-2,6-diphenylpyridine
SMILESBrc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Brc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/2C23H16BrN/c2*24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-23(16-20)19-9-5-2-6-10-19/h2*1-16H
InChIKeyZBDMZFRXHBADOL-UHFFFAOYSA-N
MW772.58 g/mol
LogP13.69
Rot. Bonds6

About 4-(4-bromophenyl)-2,6-diphenylpyridine

4-(4-bromophenyl)-2,6-diphenylpyridine (PubChem CID 146636507) has the molecular formula C46H32Br2N2 and a molecular weight of 772.58 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2,6-diphenylpyridine
PubChem CID146636507
Molecular FormulaC46H32Br2N2
Molecular Weight772.58 g/mol
Exact Mass770.09
IUPAC Name4-(4-bromophenyl)-2,6-diphenylpyridine
SMILESBrc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Brc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/2C23H16BrN/c2*24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-23(16-20)19-9-5-2-6-10-19/h2*1-16H
InChIKeyZBDMZFRXHBADOL-UHFFFAOYSA-N
XLogP13.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.58
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromophenyl)-2,6-diphenylpyridine 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 4-(4-bromophenyl)-2,6-diphenylpyridine?
The IUPAC name of 4-(4-bromophenyl)-2,6-diphenylpyridine (CID 146636507) is 4-(4-bromophenyl)-2,6-diphenylpyridine.
What is the SMILES notation for 4-(4-bromophenyl)-2,6-diphenylpyridine?
The canonical SMILES for 4-(4-bromophenyl)-2,6-diphenylpyridine is Brc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Brc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2,6-diphenylpyridine?
The InChIKey is ZBDMZFRXHBADOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H16BrN/c2*24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-23(16-20)19-9-5-2-6-10-19/h2*1-16H.
What are the key properties of 4-(4-bromophenyl)-2,6-diphenylpyridine?
4-(4-bromophenyl)-2,6-diphenylpyridine has a molecular weight of 772.58 g/mol, XLogP of 13.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2,6-diphenylpyridine is sourced from PubChem (CID 146636507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).