6-nitro-2,3-diphenylquinoxaline

• ChemBase ID: 92970
• Molecular Formular: C20H13N3O2
• Molecular Mass: 327.33612
• Monoisotopic Mass: 327.10077667
• SMILES: n1c(c(nc2cc(ccc12)[N+](=O)[O-])c1ccccc1)c1ccccc1
• Canonical SMILES: [O-][N+](=O)c1ccc2c(c1)nc(c(n2)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H13N3O2/c24-23(25)16-11-12-17-18(13-16)22-20(15-9-5-2-6-10-15)19(21-17)14-7-3-1-4-8-14/h1-13H
• InChIKey: QSJFEWWENJXUCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-nitro-2,3-diphenylquinoxaline
• IUPAC Traditional name: 6-nitro-2,3-diphenylquinoxaline
• Synonyms: 2,3-Diphenyl-6-nitroquinoxaline

Database IDs

• MDL Number: MFCD00023917
• PubChem SID: 162079668
• PubChem CID: 345194

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.30521
• LogD (pH = 7.4): 5.305214
• Log P: 5.305214
• Molar Refractivity: 94.3035 cm^3
• Polarizability: 39.96932 Å^3
• Polar Surface Area: 71.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant