1-(4-nitrophenyl)-4-phenylbenzene

• ChemBase ID: 111813
• Molecular Formular: C18H13NO2
• Molecular Mass: 275.30132
• Monoisotopic Mass: 275.09462866
• SMILES: [O-][N+](=O)c1ccc(cc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C18H13NO2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
• InChIKey: IMMGNSJGTWWGJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-nitrophenyl)-4-phenylbenzene
• IUPAC Traditional name: 1-(4-nitrophenyl)-4-phenylbenzene
• Synonyms: 4-NITRO-p-TERPHENYL

Database IDs

• CAS Number: 10355-53-0
• PubChem SID: 162096719
• PubChem CID: 25196

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2076807
• LogD (pH = 7.4): 5.2076807
• Log P: 5.2076807
• Molar Refractivity: 83.6551 cm^3
• Polarizability: 34.22165 Å^3
• Polar Surface Area: 45.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05221143

MP Biomedicals Rare Chemical collection