2-oxo-N'-(2-oxo-2,3-dihydro-1H-indol-3-ylidene)-3-(triphenyl-$l^{5}-phosphanylidene)propanehydrazide

• ChemBase编号: 84964
• 分子式: C29H22N3O3P
• 平均质量: 491.477041
• 单一同位素质量: 491.13987821
• SMILES: P(=CC(=O)C(=O)N/N=C/1\C(=O)Nc2ccccc12)(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C(=O)N/N=C/1\C(=O)Nc2c1cccc2)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C29H22N3O3P/c33-26(28(34)32-31-27-24-18-10-11-19-25(24)30-29(27)35)20-36(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H,(H,32,34)(H,30,31,35)
• InChIKey: DMBMXKYCQMJBCX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-oxo-N'-(2-oxo-2,3-dihydro-1H-indol-3-ylidene)-3-(triphenyl-$l^{5}-phosphanylidene)propanehydrazide
• IUPAC传统名: 2-oxo-N'-(2-oxo-1H-indol-3-ylidene)-3-(triphenyl-$l^{5}-phosphanylidene)propanehydrazide
• 别名: N'1-(2-oxo-2,3-dihydro-1H-indol-3-yliden)-2-oxo-3-(1,1,1-triphenyl-lambda~5~-phosphanylidene)propanohydrazide

登记号

• MDL号: MFCD00220423
• PubChem SID: 162072080
• PubChem CID: 5712147

理论计算性质

• Acid pKa: 9.878194
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 6.372082
• LogD (pH = 7.4): 6.370701
• Log P: 6.3721
• 摩尔折射率: 141.7803 cm^3
• 极化性: 53.708435 Å^3
• 极化表面积: 87.63 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false