3,5-bis(trifluoromethyl)-N-[tris(3-methylphenyl)-$l^{5}-phosphanylidene]aniline

• ChemBase编号: 96579
• 分子式: C29H24F6NP
• 平均质量: 531.4717402
• 单一同位素质量: 531.15505572
• SMILES: P(=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(ccc1)C)(c1cccc(c1)C)c1cccc(c1)C
• Canonical SMILES: Cc1cccc(c1)P(=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cccc(c1)C)c1cccc(c1)C
• InChI: InChI=1S/C29H24F6NP/c1-19-7-4-10-25(13-19)37(26-11-5-8-20(2)14-26,27-12-6-9-21(3)15-27)36-24-17-22(28(30,31)32)16-23(18-24)29(33,34)35/h4-18H,1-3H3
• InChIKey: RBQXBXJJNKCMHQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,5-bis(trifluoromethyl)-N-[tris(3-methylphenyl)-$l^{5}-phosphanylidene]aniline
• IUPAC传统名: 3,5-bis(trifluoromethyl)-N-[tris(3-methylphenyl)-$l^{5}-phosphanylidene]aniline
• 别名: {[3,5-bis(trifluoromethyl)phenyl]imino}[tris(3-methylphenyl)]phosphorane

登记号

• MDL号: MFCD01314433
• PubChem SID: 162083228
• PubChem CID: 2781747

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 10.448073
• LogD (pH = 7.4): 10.4481
• Log P: 10.4481
• 摩尔折射率: 138.8824 cm^3
• 极化性: 50.22091 Å^3
• 极化表面积: 12.36 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false