(phenanthren-9-ylmethyl)triphenylphosphanium chloride

• ChemBase编号: 85293
• 分子式: C33H26ClP
• 平均质量: 488.986301
• 单一同位素质量: 488.14606514
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1c2c(c3c(c1)cccc3)cccc2.[Cl-]
• Canonical SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)Cc1cc2ccccc2c2c1cccc2.[Cl-]
• InChI: InChI=1S/C33H26P.ClH/c1-4-15-28(16-5-1)34(29-17-6-2-7-18-29,30-19-8-3-9-20-30)25-27-24-26-14-10-11-21-31(26)33-23-13-12-22-32(27)33;/h1-24H,25H2;1H/q+1;/p-1
• InChIKey: FYBRVNGSRANOBX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (phenanthren-9-ylmethyl)triphenylphosphanium chloride
• IUPAC传统名: (phenanthren-9-ylmethyl)triphenylphosphanium chloride
• 别名: (9-phenanthrylmethyl)(triphenyl)phosphonium chloride

登记号

• MDL号: MFCD01570928
• PubChem SID: 162072409
• PubChem CID: 2795277

理论计算性质

• 摩尔折射率: 144.7342 cm^3
• 极化性: 59.356075 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false
• Acid pKa: 19.115385
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.331218
• LogD (pH = 7.4): 8.331218
• Log P: 8.331218