3,9,11,17,23,25,31,37,39,45,63,65-Dodecamethyl-49,52,55,58,71,74,76,79-octaoxa-7,13,21,27,35,41,61,67-octazadodecacyclo[45.12.9.629,53.515,53.18,12.122,26.136,40.162,66.05,59.043,48.019,80.033,75]trioctaconta-1(59),2,4,8(83),9,11,15,17,19(80),22,24,26(82),29,31,33(75),36(81),37,39,43(48),44,46,62(69),63,65-tetracosaene-6,14,20,28,34,42,60,68-octone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,9,11,17,23,25,31,37,39,45,63,65-Dodecamethyl-49,52,55,58,71,74,76,79-octaoxa-7,13,21,27,35,41,61,67-octazadodecacyclo[45.12.9.629,53.515,53.18,12.122,26.136,40.162,66.05,59.043,48.019,80.033,75]trioctaconta-1(59),2,4,8(83),9,11,15,17,19(80),22,24,26(82),29,31,33(75),36(81),37,39,43(48),44,46,62(69),63,65-tetracosaene-6,14,20,28,34,42,60,68-octone
• 英文别名: 3,9,11,17,23,25,31,37,39,45,63,65-dodecamethyl-49,52,55,58,71,74,76,79-octaoxa-7,13,21,27,35,41,61,67-octazadodecacyclo[45.12.9.629,53.515,53.18,12.122,26.136,40.162,66.05,59.043,48.019,80.033,75]trioctaconta-1(59),2,4,8(83),9,11,15,17,19(80),22,24,26(82),29,31,33(75),36(81),37,39,43(48),44,46,62(69),63,65-tetracosaene-6,14,20,28,34,42,60,68-octone
• 化学式: C₇₉H₈₀N₈O₁₆
• 分子量: 1397.5
• InChiKey: FKEKKSKEXMEMOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  103
• 可旋转键数：
  0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  307
• 氢给体数：
  8
• 氢受体数：
  16

文献信息

• Bridged macrocyclic module compositions
  申请人：Whiteford Jeffery A.

  公开号：US20080290034A1

  公开（公告）日：2008-11-27

  This invention is related to the fields of organic chemistry and nanotechnology. In particular, it relates to materials and methods for the preparation of organic synthons and bridged macrocyclic module compounds. The bridged macrocyclic module compounds may be used to prepare macrocyclic compositions such as nanofilms, which may be useful for filtration.

  本发明涉及有机化学和纳米技术领域。具体而言，涉及有机合成物和桥接的大环模块化合物的制备材料和方法。这些桥接的大环模块化合物可用于制备大环组成物，例如纳米膜，这些纳米膜可用于过滤。
• US8182695B2
  申请人：——

  公开号：US8182695B2

  公开（公告）日：2012-05-22