pentadecacyclo[14.14.14.65,12.620,27.02,15.04,13.06,11.017,30.019,28.021,26.031,44.033,42.035,40.045,50.051,56]hexapentaconta-2(15),3,6,8,10,13,17(30),18,21,23,25,28,31,33,35,37,39,41,45,47,49,51,53,55-tetracosaene | 103960-17-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: pentadecacyclo[14.14.14.65,12.620,27.02,15.04,13.06,11.017,30.019,28.021,26.031,44.033,42.035,40.045,50.051,56]hexapentaconta-2(15),3,6,8,10,13,17(30),18,21,23,25,28,31,33,35,37,39,41,45,47,49,51,53,55-tetracosaene
• CAS: 103960-17-4
• 化学式: C₅₆H₃₆
• 分子量: 708.902
• InChiKey: XYUZXOAPYXDXJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  56
• 可旋转键数：
  0
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  pentadecacyclo[14.14.14.65,12.620,27.02,15.04,13.06,11.017,30.019,28.021,26.031,44.033,42.035,40.045,50.051,56]hexapentaconta-2(15),3,6,8,10,13,17(30),18,21,23,25,28,31,33,35,37,39,41,45,47,49,51,53,55-tetracosaene 在 palladium on activated charcoal 作用下， 以 均三甲苯 为溶剂， 反应 48.0h， 以83%的产率得到heptiptycene
  参考文献：
  名称：

  Tritriptycene: a D3h C62 hydrocarbon with three U-shaped cavities

  摘要：

  DOI：

  10.1021/ja00281a038
• 作为产物：
  描述：

  57-oxahexadecacyclo[14.14.14.620,27.634,41.15,12.02,15.04,13.06,11.017,30.019,28.021,26.031,44.033,42.035,40.045,50.051,56]heptapentaconta-2(15),6,8,10,17(30),18,21,23,25,28,31(44),32,35,37,39,42,45,47,49,51,53,55-docosaene 在 盐酸 作用下， 以 乙酸酐 为溶剂， 反应 20.0h， 以63%的产率得到pentadecacyclo[14.14.14.65,12.620,27.02,15.04,13.06,11.017,30.019,28.021,26.031,44.033,42.035,40.045,50.051,56]hexapentaconta-2(15),3,6,8,10,13,17(30),18,21,23,25,28,31,33,35,37,39,41,45,47,49,51,53,55-tetracosaene
  参考文献：
  名称：

  Tritriptycene: a D3h C62 hydrocarbon with three U-shaped cavities

  摘要：

  DOI：

  10.1021/ja00281a038

文献信息

• BASHIR-HASHEMI ABDOLLAH; HART H.; WARD D. L., J. AMER. CHEM. SOC., 108,(1986) N 21, 6675-6679
  作者：BASHIR-HASHEMI ABDOLLAH、 HART H.、 WARD D. L.

  DOI：——

  日期：——