4-[(1E)-(diphenylhydrazin-1-ylidene)methyl]-N,N-bis(4-methylphenyl)aniline

• ChemBase编号: 180270
• 分子式: C33H29N3
• 平均质量: 467.60346
• 单一同位素质量: 467.23614794
• SMILES: N(=C\c1ccc(N(c2ccc(cc2)C)c2ccc(cc2)C)cc1)/N(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)/C=N/N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C33H29N3/c1-26-13-19-29(20-14-26)35(30-21-15-27(2)16-22-30)31-23-17-28(18-24-31)25-34-36(32-9-5-3-6-10-32)33-11-7-4-8-12-33/h3-25H,1-2H3/b34-25+
• InChIKey: WCVWLLLVYFDRTB-YQCHCMBFSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(1E)-(diphenylhydrazin-1-ylidene)methyl]-N,N-bis(4-methylphenyl)aniline
• IUPAC传统名: 4-[(1E)-(diphenylhydrazin-1-ylidene)methyl]-N,N-bis(4-methylphenyl)aniline
• 别名: 4-Bis(4-methylphenyl)aminobenzaldehyde-1,1-diphenyl-hydrazone

登记号

• CAS号: 83992-95-4
• PubChem SID: 164236180
• PubChem CID: 20431411

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.5993953
• LogD (pH = 7.4): 8.357213
• Log P: 9.5382
• 摩尔折射率: 161.2055 cm^3
• 极化性: 57.195595 Å^3
• 极化表面积: 18.84 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false