2,6-diphenylpyrazine

• ChemBase ID: 247722
• Molecular Formular: C16H12N2
• Molecular Mass: 232.27988
• Monoisotopic Mass: 232.10004839
• SMILES: n1c(c2ccccc2)cncc1c1ccccc1
• Canonical SMILES: n1cc(nc(c1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-17-12-16(18-15)14-9-5-2-6-10-14/h1-12H
• InChIKey: PHTOUDMCYGFCNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diphenylpyrazine
• IUPAC Traditional name: 2,6-diphenylpyrazine
• Synonyms: 2,6-diphenylpyrazine

Database IDs

• MDL Number: MFCD18449273
• PubChem SID: 164303632
• PubChem CID: 301744

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6040485
• LogD (pH = 7.4): 3.6040523
• Log P: 3.6040523
• Molar Refractivity: 71.2726 cm^3
• Polarizability: 30.703934 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): 3.884

Product Information

• Purity: 95%