(4-n-PrC6H4)5C60H | 1094077-01-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (4-n-PrC6H4)5C60H
• CAS: 1094077-01-6
• 化学式: C₁₀₅H₅₆
• 分子量: 1317.6
• InChiKey: REBHDNUWJHGISM-GJZVIDBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.48
• 重原子数：
  105.0
• 可旋转键数：
  15.0
• 环数：
  37.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  四(二甲氨基)锆 、 (4-n-PrC6H4)5C60H 以 四氢呋喃 为溶剂， 生成 [Zr(NMe2)3(THF)2][(4-n-PrC6H4)5C60]
  参考文献：
  名称：

  Pentaarylfullerenes as Noncoordinating Cyclopentadienyl Anions

  摘要：

  The first example of an early-transition-metal complex involving a pentaarylfullerene was prepared. Instead of half-sandwich complexes, solvent separated ion pairs were obtained in which the pentaarylfullerene moiety acts as noncoordinating cyclopentadienyl anion.

  DOI：

  10.1021/ic802034m

文献信息

• Preparation and Properties of Vesicles Made of Nonpolar/Polar/Nonpolar Fullerene Amphiphiles
  作者：Tatsuya Homma、Koji Harano、Hiroyuki Isobe、Eiichi Nakamura

  DOI：10.1021/ja200498g

  日期：2011.4.27

  Twenty potassium complexes of penta-[(4-substituted)phenyl][60]fullerene anions were synthesized and examined for their ability to form bilayer vesicles in water. The 4-substituents include alkyl groups ranging from methyl to icosanyl groups and perfluoromethyl, perfluorobutyl, and perfluorooctyl groups. The overall structure of the amphiphiles can be described as a nonpolar/polar/nonpolar (n-p-n') motif as opposed to the usual polar/nonpolar motif of lipid amphiphiles. Despite the hydrophobicity of the fullerene moiety (n-part) and alkyl/perfluoroalkyl chains (n'-part), all compounds except for the one with perfluoromethyl groups were soluble in water because of the centrally located fullerene cyclopentadienide (p-part) and spontaneously formed a vesicle of 25- to 60-nm diameter with a narrow unimodal size distribution. The vesicles are stable upon heating to 90 degrees C or standing over one year in air, as well as on a solid substrate in air or in vacuum, maintaining their spherical form. The vesicle membrane consists of an interdigitated bilayer of the amphiphile molecules, in which the fullerene n-part is inside and the n'-side is exposed to water. These vesicles, in particular the one bearing icosanyl chains, exhibit the smallest water permeability coefficient ever found for a self-assembled membrane in water.