10,22,33,45-Tetra(tricosan-12-yl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone | 1402852-87-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 10,22,33,45-Tetra(tricosan-12-yl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone
• CAS: 1402852-87-2
• 化学式: C₁₄₂H₂₀₀N₄O₈
• 分子量: 2091.17
• InChiKey: XTLWNEYBYNUZOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  54
• 重原子数：
  154
• 可旋转键数：
  84
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  150
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  、 12-tricosanamine 在 咪唑 作用下， 反应 6.0h， 以12%的产率得到10,22,33,45-Tetra(tricosan-12-yl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone
  参考文献：
  名称：

  Synthesis and Properties of Ethylene-Annulated Di(perylene diimides)

  摘要：

  A new synthetic method toward ethylene-annulated di(perylene diimides) from easily available ethylene-annulated di(perylene esters), which is conducted by ICI-induced cyclization and Mizoroki-Heck coupling of ethynylene-linked di(perylene esters), is reported.

  DOI：

  10.1021/ol302434y