6,19,32,71-Tetraethynyl-45,58-bis(prop-1-ynyl)-12,25,38,51,65,78-hexazatridecacyclo[74.2.2.211,14.224,27.237,40.250,53.263,66.14,8.117,21.130,34.143,47.156,60.169,73]hexanonaconta-1(78),4,6,8(96),11,13,17(93),18,20,24,26,30(90),31,33,37,39,43(87),44,46,50,52,56,58,60(84),63,65,69,71,73(81),76,79,82,85,88,91,94-hexatriacontaen-2,9,15,22,28,35,41,48,54,61,67,74-dodecayne

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6,19,32,71-Tetraethynyl-45,58-bis(prop-1-ynyl)-12,25,38,51,65,78-hexazatridecacyclo[74.2.2.211,14.224,27.237,40.250,53.263,66.14,8.117,21.130,34.143,47.156,60.169,73]hexanonaconta-1(78),4,6,8(96),11,13,17(93),18,20,24,26,30(90),31,33,37,39,43(87),44,46,50,52,56,58,60(84),63,65,69,71,73(81),76,79,82,85,88,91,94-hexatriacontaen-2,9,15,22,28,35,41,48,54,61,67,74-dodecayne
• 英文别名: 6,19,32,71-tetraethynyl-45,58-bis(prop-1-ynyl)-12,25,38,51,65,78-hexazatridecacyclo[74.2.2.211,14.224,27.237,40.250,53.263,66.14,8.117,21.130,34.143,47.156,60.169,73]hexanonaconta-1(78),4,6,8(96),11,13,17(93),18,20,24,26,30(90),31,33,37,39,43(87),44,46,50,52,56,58,60(84),63,65,69,71,73(81),76,79,82,85,88,91,94-hexatriacontaen-2,9,15,22,28,35,41,48,54,61,67,74-dodecayne
• 化学式: C₁₀₄H₄₆N₆
• 分子量: 1379.5
• InChiKey: YRBWFKDLGMQPTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.5
• 重原子数：
  110
• 可旋转键数：
  6
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  77.3
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• ORGANIC POLYMER POROUS BODY
  申请人：Kabushiki Kaisha Toyota Chuo Kenkyusho

  公开号：US20140242366A1

  公开（公告）日：2014-08-28

  There is provided an organic polymer porous body having a first cyclic structure equipped with a 6-membered ring (A) or a 5-membered ring having three bonds; a second cyclic structure equipped with a 6-membered ring (B) having two or three bonds; and a carbon-carbon triple bond that links the first cyclic structure to the second cyclic structure. At least one of the first cyclic structure and the second cyclic structure contains at least one nitrogen atom.
• US9512270B2
  申请人：——

  公开号：US9512270B2

  公开（公告）日：2016-12-06