| 1207251-51-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1207251-51-1
• 化学式: C₁₆₀H₂₅₂O₁₀S₂
• 分子量: 2399.89
• InChiKey: XVARQHUEIATABC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  51.83
• 重原子数：
  172.0
• 可旋转键数：
  118.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  92.3
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以91%的产率得到
  参考文献：
  名称：

  2D Assembly of Metallacycles on HOPG by Shape-Persistent Macrocycle Templates

  摘要：

  The synthesis and scanning tunneling microscopy (STM) investigations of shape-persistent arylene-ethynylene-butadiynylene macrocycles along with their codeposites with metallacycles are reported. 2D ordered arrays of macrocycles and macrocycle/metallacycle architectures (1:1) have been obtained on HOPG by self-assembly under ambient conditions. It is found that the ordered macrocycle array acts as a template for the deposition of the adlayer molecules. For each underlying macrocycle, one metallacycle has been detected. The unit-cell data of both, the macrocycles; and their codeposites, show that the structural information of the macrocycle layer is perfectly transformed to the guest molecules. A rather unexpected observation is that the present compound could not be coadsorbed with C-60, indicating that only a minor change in the structure of the macrocycle has a dramatic effect on the ability of the monolayer to bind additional guest molecules.

  DOI：

  10.1021/ja907220f