4-chloro-N-(ethyldiphenyl-$l^{5}-phosphanylidene)aniline

• ChemBase ID: 86268
• Molecular Formular: C20H19ClNP
• Molecular Mass: 339.798321
• Monoisotopic Mass: 339.09436392
• SMILES: P(=Nc1ccc(cc1)Cl)(c1ccccc1)(c1ccccc1)CC
• Canonical SMILES: CCP(=Nc1ccc(cc1)Cl)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H19ClNP/c1-2-23(19-9-5-3-6-10-19,20-11-7-4-8-12-20)22-18-15-13-17(21)14-16-18/h3-16H,2H2,1H3
• InChIKey: KTBKARSBDOXIJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-(ethyldiphenyl-$l^{5}-phosphanylidene)aniline
• IUPAC Traditional name: 4-chloro-N-(ethyldiphenyl-$l^{5}-phosphanylidene)aniline
• Synonyms: [(4-chlorophenyl)imino](ethyl)diphenylphosphorane

Database IDs

• MDL Number: MFCD01314437
• PubChem SID: 162073384
• PubChem CID: 630911

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.529872
• LogD (pH = 7.4): 6.530097
• Log P: 6.5301
• Molar Refractivity: 101.6428 cm^3
• Polarizability: 38.96969 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false