9,12,28,31,46,49-hexaoxa-1,20-diazaoctocyclo-[18,18,18,O_{3,8,13,18,22,27,32,37,40,45,50,55}]hexapentaconta-3,5,7,13,15,17,22,24,26,32,34,36,40,42,44,50,52,54-octadecene | 156339-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 9,12,28,31,46,49-hexaoxa-1,20-diazaoctocyclo-[18,18,18,O_{3,8,13,18,22,27,32,37,40,45,50,55}]hexapentaconta-3,5,7,13,15,17,22,24,26,32,34,36,40,42,44,50,52,54-octadecene
• 英文别名: 9,12,28,31,46,49-hexaoxa-1,20-diazaoctocyclo[18,18,18,O_{3,8,13,18,22,27,32,37,40,45,50,55}]hexapentaconta-3,5,7,13,15,17,22,24,26,32,34,36,40,42,44,50,52,54-octadecene；9,12,28,31,46,49-hexaoxa-1,20-diazaoctocyclo-[18.18.18(1,20),O(3,8;13,18;22,27;32,37;40,45;50,55)]hexapentaconta-3,5,7,13,15,17,22,24,26,32,34,36,40,42,44,50,52,54-octadecaene；9,12,28,31,46,49-hexaoxa-1,20-diazaoctocyclo-[18,18,18,O(3,8,13,18,22,27,32,37,40,45;50,55)]hexapentaconta-3,5,7,13,15,17,22,24,26,32,34,36,40,42,44,50,52,54-octadecene；9,12,28,31,46,49-hexaoxa-1,20-diazaoctocyclo-[18,18,18,O-3,8,13,18,22,27,32,37,40,45,50,55]hexapentaconta-3,5,7,13,15,17,22,24,26,32,34,36,40,42,44,50,52,54-octadecane；9,12,28,31,46,49-Hexaoxa-1,20-diazaoctacyclo[18.18.18.03,8.013,18.022,27.032,37.040,45.050,55]hexapentaconta-3,5,7,13,15,17,22,24,26,32,34,36,40,42,44,50,52,54-octadecaene
• CAS: 156339-68-3
• 化学式: C₄₈H₄₈N₂O₆
• 分子量: 748.919
• InChiKey: BGFAGBIFXUBIRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  56
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  61.9
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  lanthanum(III) nitrate hexahydrate 、 9,12,28,31,46,49-hexaoxa-1,20-diazaoctocyclo-[18,18,18,O_{3,8,13,18,22,27,32,37,40,45,50,55}]hexapentaconta-3,5,7,13,15,17,22,24,26,32,34,36,40,42,44,50,52,54-octadecene 以 氯仿 、 乙腈 为溶剂， 以46.9%的产率得到
  参考文献：
  名称：

  Dong, Wenkui; Yang, Rudong; Yan, Lan, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1999, vol. 38, # 9, p. 880 - 883

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyleneglycol-O,O'-bis(2-benzylamine) 在 sodium hydroxide 、 sodium tetrahydroborate 、 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 70.25h， 生成 9,12,28,31,46,49-hexaoxa-1,20-diazaoctocyclo-[18,18,18,O_{3,8,13,18,22,27,32,37,40,45,50,55}]hexapentaconta-3,5,7,13,15,17,22,24,26,32,34,36,40,42,44,50,52,54-octadecene
  参考文献：
  名称：

  Atkinson, Ian M.; Lindoy, Leonard F.; Matthews, Owen A., Australian Journal of Chemistry, 1994, vol. 47, # 6, p. 1155 - 1162

  摘要：

  DOI：

文献信息

• Synthesis, Characterization and Fluorescence of Cryptates of Sm(Iii), Eu(Iii), Tb(Iii), Dy(Iii) with a Hexabenzo Cryptand
  作者：Dong Wenkui、Yang Rudong、Yan Lan

  DOI：10.1080/00945719909351724

  日期：1999.10
• Dong; Yang; Yan, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2000, vol. 39, # 12, p. 1306 - 1308
  作者：Dong、Yang、Yan

  DOI：——

  日期：——