4-[4-[4-[4-(4-Phenylphenyl)phenyl]phenyl]phenyl]benzonitrile | 1080024-69-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[4-[4-[4-(4-Phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
• 英文别名: 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
• CAS: 1080024-69-6
• 化学式: C₃₇H₂₅N
• 分子量: 483.612
• InChiKey: DNLDFQQTTHDENS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  8-([1,1'-biphenyl]-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol 在 sodium hydrogen sulfate 、 四(三苯基膦)钯 、 正丁基锂 、 对甲苯磺酸一水合物 、 四氯苯醌 、 sodium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 5,5-dimethyl-1,3-cyclohexadiene 、 二氯甲烷 、 环己烷 、 水 、 二甲基亚砜 、 丙酮 、 甲苯 为溶剂， 反应 271.0h， 生成 4-[4-[4-[4-(4-Phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
  参考文献：
  名称：

  Making Nonsymmetrical Bricks: Synthesis of Insoluble Dipolar Sexiphenyls

  摘要：

  A versatile synthesis of nonsymmetrical, terminally substituted p-sexiphenyl (6P) derivatives has been developed. The synthesis makes use of a nonsymmetrical starting material as well as modular functionalization using Suzuki cross-coupling to yield a soluble precursor, which finally is converted to the insoluble target 6P derivatives. These derivatives display similar electronic and optical properties to the parent 6P, yet the permanent dipole along their molecular axis allows for tuning of their self-assembly on various substrate surfaces.

  DOI：

  10.1021/ol5009087

文献信息

• Making Nonsymmetrical Bricks: Synthesis of Insoluble Dipolar Sexiphenyls
  作者：Yves Garmshausen、Jutta Schwarz、Jana Hildebrandt、Björn Kobin、Michael Pätzel、Stefan Hecht

  DOI：10.1021/ol5009087

  日期：2014.6.6

  A versatile synthesis of nonsymmetrical, terminally substituted p-sexiphenyl (6P) derivatives has been developed. The synthesis makes use of a nonsymmetrical starting material as well as modular functionalization using Suzuki cross-coupling to yield a soluble precursor, which finally is converted to the insoluble target 6P derivatives. These derivatives display similar electronic and optical properties to the parent 6P, yet the permanent dipole along their molecular axis allows for tuning of their self-assembly on various substrate surfaces.