12,13,38,39,56,57,62,63-Octamethyl-2,23,28,49-tetraza-9,16,35,42-tetrazoniatridecacyclo[48.2.2.211,14.224,27.237,40.12,9.116,23.128,35.142,49.03,8.017,22.029,34.043,48]tetrahexaconta-1(53),3,5,7,9(64),11,13,16(61),17,19,21,24,26,29,31,33,35(58),37(57),38,40(56),42(55),43,45,47,50(54),51,59,62-octacosaene | 1442477-23-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 12,13,38,39,56,57,62,63-Octamethyl-2,23,28,49-tetraza-9,16,35,42-tetrazoniatridecacyclo[48.2.2.211,14.224,27.237,40.12,9.116,23.128,35.142,49.03,8.017,22.029,34.043,48]tetrahexaconta-1(53),3,5,7,9(64),11,13,16(61),17,19,21,24,26,29,31,33,35(58),37(57),38,40(56),42(55),43,45,47,50(54),51,59,62-octacosaene
• CAS: 1442477-23-7
• 化学式: C₆₄H₆₀N₈
• 分子量: 941.234
• InChiKey: GRLRCDXIOVMLNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.5
• 重原子数：
  72
• 可旋转键数：
  0
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  35.2
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  12,13,38,39,56,57,62,63-Octamethyl-2,23,28,49-tetraza-9,16,35,42-tetrazoniatridecacyclo[48.2.2.211,14.224,27.237,40.12,9.116,23.128,35.142,49.03,8.017,22.029,34.043,48]tetrahexaconta-1(53),3,5,7,9(64),11,13,16(61),17,19,21,24,26,29,31,33,35(58),37(57),38,40(56),42(55),43,45,47,50(54),51,59,62-octacosaene 在 ammonium hexafluorophosphate 作用下， 以 甲醇 、 水 为溶剂， 反应 12.0h， 以281 mg的产率得到
  参考文献：
  名称：

  Aggregation Induced Emission Enhancement in Ionic Self-Assembled Aggregates of Benzimidazolium Based Cyclophane and Sodium Dodecylbenzenesulfonate

  摘要：

  Cyclophane BIMCP-1 undergoes ionic self-assembly with surfactant sodium dodecylbenzenesulfonate (SOBS) at a concentration far below its CMC value to form aggregates with spherical morphology. The rotational restriction of rings in these aggregates facilitates 32-fold enhancement in emission intensity (AIEE) to allow fluorescence based determination of SOBS with 4 mu M (1.4 ppm) as the lowest detection limit. Sodium salts of fatty acids and inorganic anions halides, CN-, HSO4-, SO42-, H2PO4-, SCN-, and NO3- do not interfere in the estimation of SDBS.

  DOI：

  10.1021/ol401452t
• 作为产物：
  描述：

  3,6-双(溴甲基)-2,4,5-三甲基甲苯 、 1,4-双(1H-苯并[D]咪唑-1-基)苯 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 12,13,38,39,56,57,62,63-Octamethyl-2,23,28,49-tetraza-9,16,35,42-tetrazoniatridecacyclo[48.2.2.211,14.224,27.237,40.12,9.116,23.128,35.142,49.03,8.017,22.029,34.043,48]tetrahexaconta-1(53),3,5,7,9(64),11,13,16(61),17,19,21,24,26,29,31,33,35(58),37(57),38,40(56),42(55),43,45,47,50(54),51,59,62-octacosaene
  参考文献：
  名称：

  Aggregation Induced Emission Enhancement in Ionic Self-Assembled Aggregates of Benzimidazolium Based Cyclophane and Sodium Dodecylbenzenesulfonate

  摘要：

  Cyclophane BIMCP-1 undergoes ionic self-assembly with surfactant sodium dodecylbenzenesulfonate (SOBS) at a concentration far below its CMC value to form aggregates with spherical morphology. The rotational restriction of rings in these aggregates facilitates 32-fold enhancement in emission intensity (AIEE) to allow fluorescence based determination of SOBS with 4 mu M (1.4 ppm) as the lowest detection limit. Sodium salts of fatty acids and inorganic anions halides, CN-, HSO4-, SO42-, H2PO4-, SCN-, and NO3- do not interfere in the estimation of SDBS.

  DOI：

  10.1021/ol401452t