1,3-diphenyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase编号: 84949
• 分子式: C34H26N3O2P
• 平均质量: 539.562901
• 单一同位素质量: 539.17626372
• SMILES: n1(c2ccccc2)c(=O)n(c2ccccc2)c(=O)cc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=c1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n(c(=O)n1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C34H26N3O2P/c38-33-26-32(36(27-16-6-1-7-17-27)34(39)37(33)28-18-8-2-9-19-28)35-40(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H
• InChIKey: UTVWJMQGBQSTBA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3-diphenyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC传统名: 1,3-diphenyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidine-2,4-dione
• 别名: 1,3-diphenyl-6-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione

登记号

• MDL号: MFCD00220265
• PubChem SID: 162072065
• PubChem CID: 387460

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 8.309
• LogD (pH = 7.4): 8.310284
• Log P: 8.3103
• 摩尔折射率: 168.3547 cm^3
• 极化性: 61.407547 Å^3
• 极化表面积: 52.98 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false