6-chloro-3-phenyl-N-(triphenyl-$l^{5}-phosphanylidene)pyridazin-4-amine

• ChemBase ID: 85258
• Molecular Formular: C28H21ClN3P
• Molecular Mass: 465.913201
• Monoisotopic Mass: 465.116162
• SMILES: N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(nnc1c1ccccc1)Cl
• Canonical SMILES: Clc1nnc(c(c1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H21ClN3P/c29-27-21-26(28(31-30-27)22-13-5-1-6-14-22)32-33(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H
• InChIKey: DLKOCLIERFBGDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-phenyl-N-(triphenyl-$l^{5}-phosphanylidene)pyridazin-4-amine
• IUPAC Traditional name: 6-chloro-3-phenyl-N-(triphenyl-$l^{5}-phosphanylidene)pyridazin-4-amine
• Synonyms: N4-(1,1,1-triphenyl-lambda~5~-phosphanylidene)-6-chloro-3-phenylpyridazin-4-amine

Database IDs

• MDL Number: MFCD00832503
• PubChem SID: 162072374
• PubChem CID: 2795255

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.610699
• LogD (pH = 7.4): 7.6107
• Log P: 7.6107
• Molar Refractivity: 140.1481 cm^3
• Polarizability: 54.17534 Å^3
• Polar Surface Area: 38.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false