2-methyl-N-(triphenyl-$l^{5}-phosphanylidene)aniline

• ChemBase ID: 82996
• Molecular Formular: C25H22NP
• Molecular Mass: 367.422641
• Monoisotopic Mass: 367.14898634
• SMILES: P(=Nc1ccccc1C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H22NP/c1-21-13-11-12-20-25(21)26-27(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24/h2-20H,1H3
• InChIKey: BRVKYNOLBGVHFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(triphenyl-$l^{5}-phosphanylidene)aniline
• IUPAC Traditional name: 2-methyl-N-(triphenyl-$l^{5}-phosphanylidene)aniline
• Synonyms: N1-(1,1,1-triphenyl-lambda~5~-phosphanylidene)-2-methylaniline

Database IDs

• MDL Number: MFCD00025924
• PubChem SID: 162070115
• PubChem CID: 98672

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.7477307
• LogD (pH = 7.4): 7.7480955
• Log P: 7.7481
• Molar Refractivity: 116.8526 cm^3
• Polarizability: 44.87192 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false