[3-(diphenylmethylidene)-4,5-diphenylcyclopenta-1,4-dien-1-yl]benzene

• ChemBase编号: 111856
• 分子式: C36H26
• 平均质量: 458.59164
• 单一同位素质量: 458.20345083
• SMILES: c1ccc(cc1)C1=C/C(=C(/c2ccccc2)\c2ccccc2)/C(=C1c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C(=C/1\C=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C36H26/c1-6-16-27(17-7-1)32-26-33(34(28-18-8-2-9-19-28)29-20-10-3-11-21-29)36(31-24-14-5-15-25-31)35(32)30-22-12-4-13-23-30/h1-26H
• InChIKey: WBTBLXLPYJLACI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(diphenylmethylidene)-4,5-diphenylcyclopenta-1,4-dien-1-yl]benzene
• IUPAC传统名: [3-(diphenylmethylidene)-4,5-diphenylcyclopenta-1,4-dien-1-yl]benzene
• 别名: PENTAPHENYL FULVENE

登记号

• PubChem SID: 162106638
• PubChem CID: 23032076

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.022407
• LogD (pH = 7.4): 9.022407
• Log P: 9.022407
• 摩尔折射率: 162.0165 cm^3
• 极化性: 58.93942 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

详细说明

MP Biomedicals - 05221392

MP Biomedicals Rare Chemical collection