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

• ChemBase ID: 82998
• Molecular Formular: C24H19ClNP
• Molecular Mass: 387.841121
• Monoisotopic Mass: 387.09436392
• SMILES: P(=Nc1ccc(cc1)Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: Clc1ccc(cc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H19ClNP/c25-20-16-18-21(19-17-20)26-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H
• InChIKey: FQCORUUEGHMUJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-(triphenyl-$l^{5}-phosphanylidene)aniline
• IUPAC Traditional name: 4-chloro-N-(triphenyl-$l^{5}-phosphanylidene)aniline
• Synonyms: N1-(1,1,1-triphenyl-lambda~5~-phosphanylidene)-4-chloroaniline

Database IDs

• MDL Number: MFCD00018599
• PubChem SID: 162070117
• PubChem CID: 277681

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.7987566
• LogD (pH = 7.4): 7.798898
• Log P: 7.7989
• Molar Refractivity: 116.6162 cm^3
• Polarizability: 44.88951 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false