3-nitro-N-(triphenyl-$l^{5}-phosphanylidene)aniline

• ChemBase ID: 82997
• Molecular Formular: C24H19N2O2P
• Molecular Mass: 398.393621
• Monoisotopic Mass: 398.11841449
• SMILES: P(=Nc1cc(ccc1)[N+](=O)[O-])(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: [O-][N+](=O)c1cccc(c1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H19N2O2P/c27-26(28)21-12-10-11-20(19-21)25-29(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H
• InChIKey: AGFAUKFPPPZZIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-nitro-N-(triphenyl-$l^{5}-phosphanylidene)aniline
• IUPAC Traditional name: 3-nitro-N-(triphenyl-$l^{5}-phosphanylidene)aniline
• Synonyms: N1-(1,1,1-triphenyl-lambda~5~-phosphanylidene)-3-nitroaniline

Database IDs

• MDL Number: MFCD00024369
• PubChem SID: 162070116
• PubChem CID: 296006

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.234483
• LogD (pH = 7.4): 7.2345
• Log P: 7.2345
• Molar Refractivity: 119.1361 cm^3
• Polarizability: 44.84705 Å^3
• Polar Surface Area: 58.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false