(diphenylphosphoroso)(triphenyl-λ5-phosphanylidene)amine

• ChemBase ID: 110873
• Molecular Formular: C30H25NOP2
• Molecular Mass: 477.473122
• Monoisotopic Mass: 477.14113769
• SMILES: O=P(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=P(c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H25NOP2/c32-34(29-22-12-4-13-23-29,30-24-14-5-15-25-30)31-33(26-16-6-1-7-17-26,27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-25H
• InChIKey: BXXYQIADDPAMGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diphenylphosphoroso)(triphenyl-λ^5-phosphanylidene)amine; (diphenylphosphoroso)(triphenyl-$l^{5}-phosphanylidene)amine
• IUPAC Traditional name: (diphenylphosphoroso)(triphenyl-λ^5-phosphanylidene)amine; (diphenylphosphoroso)(triphenyl-$l^{5}-phosphanylidene)amine
• Synonyms: (Diphenylphosphonimido)triphenylphosphorane; DIPHENYLPHOSPHONIMIDOTRIPHENYLPHOSPHORANE; (二苯基膦酰亚胺)三苯基正膦

Database IDs

• CAS Number: 2156-69-6
• EC Number: 000-000-0
• MDL Number: MFCD00045685
• PubChem SID: 162106418
• PubChem CID: 253303

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 8.011019
• LogD (pH = 7.4): 8.203696
• Log P: 8.2068
• Molar Refractivity: 141.7144 cm^3
• Polarizability: 56.081635 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 170-174°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05216728

MP Biomedicals Rare Chemical collection