3a,18,23a,24,27,29a,32a,33,38a,43a,48a,53,55a,59,60a,62,66a,68,71a,77a,82a,88,94,97-Tetracosaoxa-5,10a,11,16a,40,46,75,81-octathia-a,1,6a,8,13a,15,20a,21,26a,30,35a,36,43,50,51a,52a,56,63a,65,71,74a,78,85,91-tetracosazaheptadecacyclo[133.5.5.515,21.530,36.550,56.565,71.585,91.5100,106.5120,126.17,114.19,42.144,77.179,112.06,115.010,41.045,76.080,111]tetraoctacontahecta-6(15a),7,9,11a(80),12a(13a),14a(51a),41,43,45(76),52a(79),77-undecaene | 1185729-58-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3a,18,23a,24,27,29a,32a,33,38a,43a,48a,53,55a,59,60a,62,66a,68,71a,77a,82a,88,94,97-Tetracosaoxa-5,10a,11,16a,40,46,75,81-octathia-a,1,6a,8,13a,15,20a,21,26a,30,35a,36,43,50,51a,52a,56,63a,65,71,74a,78,85,91-tetracosazaheptadecacyclo[133.5.5.515,21.530,36.550,56.565,71.585,91.5100,106.5120,126.17,114.19,42.144,77.179,112.06,115.010,41.045,76.080,111]tetraoctacontahecta-6(15a),7,9,11a(80),12a(13a),14a(51a),41,43,45(76),52a(79),77-undecaene
• CAS: 1185729-58-1
• 化学式: C₁₂₈H₂₂₆N₂₄O₂₄S₈
• 分子量: 2741.88
• InChiKey: VREZMZBVOMMKGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  184
• 可旋转键数：
  0
• 环数：
  29.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  585
• 氢给体数：
  2
• 氢受体数：
  54

反应信息

• 作为反应物：
  描述：

  3a,18,23a,24,27,29a,32a,33,38a,43a,48a,53,55a,59,60a,62,66a,68,71a,77a,82a,88,94,97-Tetracosaoxa-5,10a,11,16a,40,46,75,81-octathia-a,1,6a,8,13a,15,20a,21,26a,30,35a,36,43,50,51a,52a,56,63a,65,71,74a,78,85,91-tetracosazaheptadecacyclo[133.5.5.515,21.530,36.550,56.565,71.585,91.5100,106.5120,126.17,114.19,42.144,77.179,112.06,115.010,41.045,76.080,111]tetraoctacontahecta-6(15a),7,9,11a(80),12a(13a),14a(51a),41,43,45(76),52a(79),77-undecaene 、 zinc diacetate 以 N,N-二甲基甲酰胺 、 氯苯 为溶剂， 以79%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of novel supercryptands-fused porphyrazines

  摘要：

  Novel metal-free (8, 9), magnesium and zinc porphyrazines (6, 7, 10, 11) containing four peripheral tetraza-dithiahexaoxa cyclindrical or spherical cryptand units have been prepared by tricyclotetramerization reactions using supercryptand 4 or S. All new products have been characterized by a combination of mass, elemental analyses, electronic absorption, Fr-IR, H-1 and C-13 NMR spectroscopy. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2008.06.012