2,3-diphenylpyrazine

• ChemBase ID: 295334
• Molecular Formular: C16H12N2
• Molecular Mass: 232.27988
• Monoisotopic Mass: 232.10004839
• SMILES: c1ccc(cc1)c1c(nccn1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1nccnc1c1ccccc1
• InChI: InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-12H
• InChIKey: PTZIVVDMBCVSMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diphenylpyrazine
• IUPAC Traditional name: 2,3-diphenylpyrazine
• Synonyms: 2,3-Diphenylpyrazine; 2,3-二苯基吡嗪

Database IDs

• CAS Number: 1588-89-2
• MDL Number: MFCD00053000
• PubChem SID: 180680865
• PubChem CID: 243907

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6040483
• LogD (pH = 7.4): 3.6040523
• Log P: 3.6040523
• Molar Refractivity: 71.2726 cm^3
• Polarizability: 30.704237 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-122°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%