2,6-diphenylpyridine

• ChemBase ID: 79465
• Molecular Formular: C17H13N
• Molecular Mass: 231.29182
• Monoisotopic Mass: 231.10479942
• SMILES: n1c(cccc1c1ccccc1)c1ccccc1
• Canonical SMILES: c1cc(nc(c1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H13N/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-13H
• InChIKey: PJUOHDQXFNPPRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diphenylpyridine
• IUPAC Traditional name: 2,6-diphenylpyridine
• Synonyms: 2,6-diphenylpyridine; 2,6-Diphenylpyridine; 2,6-二苯基吡啶

Database IDs

• CAS Number: 3558-69-8
• EC Number: 222-620-2
• MDL Number: MFCD00006284
• Beilstein Number: 7516
• PubChem SID: 162044228
• PubChem CID: 72920

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.814076
• LogD (pH = 7.4): 4.8216276
• Log P: 4.821725
• Molar Refractivity: 73.4295 cm^3
• Polarizability: 31.69002 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74-81°C
• Boiling Point: 210°C/3mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%

REFERENCES

• Readily adds an electron from alkali metals in THF to give a radical anion which is a powerful reducing agent: e.g. reacting with benzophenone to give the dianion which can be carbonated with CO₂ to give benzilic acid: Bull. Soc. Chim. Fr., 1710 (1960).