tert-butyl(triphenyl-$l^{5}-phosphanylidene)amine

• ChemBase ID: 82105
• Molecular Formular: C22H24NP
• Molecular Mass: 333.406421
• Monoisotopic Mass: 333.1646364
• SMILES: P(=NC(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C)C
• InChI: InChI=1S/C22H24NP/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
• InChIKey: PAVNXBJENBMNKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(triphenyl-$l^{5}-phosphanylidene)amine
• IUPAC Traditional name: tert-butyl(triphenyl-$l^{5}-phosphanylidene)amine
• Synonyms: N2-(1,1,1-triphenyl-lambda~5~-phosphanylidene)-2-methylpropan-2-amine

Database IDs

• MDL Number: MFCD00830738
• PubChem SID: 162069224
• PubChem CID: 139656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.6312165
• LogD (pH = 7.4): 5.9995403
• Log P: 6.007
• Molar Refractivity: 103.8252 cm^3
• Polarizability: 40.87397 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false