4,21,27,44,61,68-hexaoxa-1,7,18,24,30,41-hexazadecacyclo[22.22.10.57,41.518,30.19,13.112,16.132,36.135,39.148,52.151,55]doheptaconta-9(72),10,12,14,16(71),32(65),33,35,37,39(64),48(58),49,51,53,55(57)-pentadecaene | 78600-16-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4,21,27,44,61,68-hexaoxa-1,7,18,24,30,41-hexazadecacyclo[22.22.10.57,41.518,30.19,13.112,16.132,36.135,39.148,52.151,55]doheptaconta-9(72),10,12,14,16(71),32(65),33,35,37,39(64),48(58),49,51,53,55(57)-pentadecaene
• CAS: 78600-16-5
• 化学式: C₆₀H₇₈N₆O₆
• 分子量: 979.316
• InChiKey: PBZOMSLIPGBNST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.51
• 重原子数：
  72.0
• 可旋转键数：
  0.0
• 环数：
  32.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  74.82
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  hexanediyl-1,6-bis(ammonium picrate) 、 4,21,27,44,61,68-hexaoxa-1,7,18,24,30,41-hexazadecacyclo[22.22.10.57,41.518,30.19,13.112,16.132,36.135,39.148,52.151,55]doheptaconta-9(72),10,12,14,16(71),32(65),33,35,37,39(64),48(58),49,51,53,55(57)-pentadecaene 生成
  参考文献：
  名称：

  Synthesis and ammonium cryptates of triply bridged cylindrical macrotetracycles

  摘要：

  DOI：

  10.1021/ja00404a057
• 作为产物：
  描述：

  4,21,27,44,61,68-hexaoxa-1,7,18,24,30,41-hexazadecacyclo[22.22.10.57,41.518,30.19,13.112,16.132,36.135,39.148,52.151,55]doheptaconta-9(72),10,12,14,16(71),32(65),33,35,37,39(64),48(58),49,51,53,55(57)-pentadecaene-8,17-dione 在 diborane(6) 作用下， 以75%的产率得到4,21,27,44,61,68-hexaoxa-1,7,18,24,30,41-hexazadecacyclo[22.22.10.57,41.518,30.19,13.112,16.132,36.135,39.148,52.151,55]doheptaconta-9(72),10,12,14,16(71),32(65),33,35,37,39(64),48(58),49,51,53,55(57)-pentadecaene
  参考文献：
  名称：

  Synthesis and ammonium cryptates of triply bridged cylindrical macrotetracycles

  摘要：

  DOI：

  10.1021/ja00404a057

文献信息

• KOTZYBA-HIBERT, F.;LEHN, J. -M.;SAIGO, KAZUHIKO, J. AMER. CHEM. SOC., 1981, 103, N 14, 4266-4268
  作者：KOTZYBA-HIBERT, F.、LEHN, J. -M.、SAIGO, KAZUHIKO

  DOI：——

  日期：——