dispirotetraetheno<6.9:39.42>diimino<5.38:10.43>di<2>pyrrolyl<5>ylidene<16H,24H,30H,49H,57H,63H>tetrabenz<1.5.15.19.30.34.44.48>octaoxacyclooctapentacontin-57',4''-piperidine> 1,1''-diacetyl-17'-... | 134665-81-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: dispirotetraetheno<6.9:39.42>diimino<5.38:10.43>di<2>pyrrolyl<5>ylidene<16H,24H,30H,49H,57H,63H>tetrabenz<1.5.15.19.30.34.44.48>octaoxacyclooctapentacontin-57',4''-piperidine> 1,1''-diacetyl-17'-...
• CAS: 134665-81-9
• 化学式: C₁₀₂H₁₀₄N₆O₁₈
• 分子量: 1701.98
• InChiKey: RUEUMOUFCGHXJP-WZAHDBCESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.27
• 重原子数：
  126.0
• 可旋转键数：
  8.0
• 环数：
  27.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  245.66
• 氢给体数：
  2.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  dispirotetraetheno<6.9:39.42>diimino<5.38:10.43>di<2>pyrrolyl<5>ylidene<16H,24H,30H,49H,57H,63H>tetrabenz<1.5.15.19.30.34.44.48>octaoxacyclooctapentacontin-57',4''-piperidine> 1,1''-diacetyl-17'-... 、 碘乙烷 生成 dispirotetraetheno<6.9:39.42>diimino<5.38:10.43>di<2>pyrrolyl<5>ylidene<16H,24H,30H,49H,57H,63H>tetrabenz<1.5.15.19.30.34.44.48>octaoxacyclooctapentacontin-57',4''-piperidinium>, 1,1,1'',1''-tetra..
  参考文献：
  名称：

  Porphyrin-cyclophanes: Inclusion complexation and x-ray crystal structure of a zinc octamethyldiphenylporphyrin

  摘要：

  The synthesis, characterization, and complexation properties of two novel porphyrincyclophanes are reported. In the first system, one face of an octamethyldiphenylporphyrin is capped by one diphenylmethane unit. In the second system, both faces of a tetraphenylporphyrin are strapped by diphenylmethane units. The X-ray crystal structure has been determined for the singly-capped zinc octamethyldiphenylporphyrin.

  DOI：

  10.1016/s0040-4020(01)81777-4
• 作为产物：
  描述：

  Phenol,2,2',2'',2'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis- 、 1-acetyl-4,4-bis<4-(3-bromopropoxy)-3,5-dimethoxyphenyl>piperidine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以5.4%的产率得到dispirotetraetheno<6.9:39.42>diimino<5.38:10.43>di<2>pyrrolyl<5>ylidene<16H,24H,30H,49H,57H,63H>tetrabenz<1.5.15.19.30.34.44.48>octaoxacyclooctapentacontin-57',4''-piperidine> 1,1''-diacetyl-17'-...
  参考文献：
  名称：

  Porphyrin-cyclophanes: Inclusion complexation and x-ray crystal structure of a zinc octamethyldiphenylporphyrin

  摘要：

  The synthesis, characterization, and complexation properties of two novel porphyrincyclophanes are reported. In the first system, one face of an octamethyldiphenylporphyrin is capped by one diphenylmethane unit. In the second system, both faces of a tetraphenylporphyrin are strapped by diphenylmethane units. The X-ray crystal structure has been determined for the singly-capped zinc octamethyldiphenylporphyrin.

  DOI：

  10.1016/s0040-4020(01)81777-4