21,21,39,39-Tetraoxo-20,38-dioxa-21lambda6,39lambda6-dithia-8,15,26,33-tetrazatridecacyclo[22.18.1.16,40.02,22.03,19.04,41.05,17.07,15.09,14.025,33.027,32.035,43.037,42]tetratetraconta-1(43),2(22),3(19),4,6(44),7,9,11,13,17,23,25,27,29,31,35,37(42),40-octadecaene-16,34-dione | 784179-86-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 21,21,39,39-Tetraoxo-20,38-dioxa-21lambda6,39lambda6-dithia-8,15,26,33-tetrazatridecacyclo[22.18.1.16,40.02,22.03,19.04,41.05,17.07,15.09,14.025,33.027,32.035,43.037,42]tetratetraconta-1(43),2(22),3(19),4,6(44),7,9,11,13,17,23,25,27,29,31,35,37(42),40-octadecaene-16,34-dione
• 英文别名: 21,21,39,39-tetraoxo-20,38-dioxa-21λ6,39λ6-dithia-8,15,26,33-tetrazatridecacyclo[22.18.1.16,40.02,22.03,19.04,41.05,17.07,15.09,14.025,33.027,32.035,43.037,42]tetratetraconta-1(43),2(22),3(19),4,6(44),7,9,11,13,17,23,25,27,29,31,35,37(42),40-octadecaene-16,34-dione
• CAS: 784179-86-8
• 化学式: C₃₆H₁₂N₄O₈S₂
• 分子量: 692.645
• InChiKey: LONFYKYIKKPOEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  50
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  173
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  21,21,39,39-Tetraoxo-20,38-dioxa-21lambda6,39lambda6-dithia-8,15,26,33-tetrazatridecacyclo[22.18.1.16,40.02,22.03,19.04,41.05,17.07,15.09,14.025,33.027,32.035,43.037,42]tetratetraconta-1(43),2(22),3(19),4,6(44),7,9,11,13,17,23,25,27,29,31,35,37(42),40-octadecaene-16,34-dione 、 21,21,39,39-Tetraoxo-20,38-dioxa-21lambda6,39lambda6-dithia-8,15,26,33-tetrazatridecacyclo[22.18.1.16,40.02,22.03,19.04,41.05,17.07,15.09,14.026,34.027,32.035,43.037,42]tetratetraconta-1(43),2(22),3(19),4,6(44),7,9,11,13,17,23,27,29,31,33,35,37(42),40-octadecaene-16,25-dione 在 oleum 作用下， 反应 6.0h， 生成 16,21,21,34,39,39-Hexaoxo-20,38-dioxa-21lambda6,39lambda6-dithia-8,15,26,33-tetrazatridecacyclo[22.18.1.16,40.02,22.03,19.04,41.05,17.07,15.09,14.025,33.027,32.035,43.037,42]tetratetraconta-1(43),2(22),3(19),4,6(44),7,9(14),10,12,17,23,25,27(32),28,30,35,37(42),40-octadecaene-12,30-disulfonic acid 、
  参考文献：
  名称：

  Lyotropic liquid crystal systems based on perylenetetracarboxylic acid dibenzimidazole sulfoderivatives, related anisotropic films, and methods for making

  摘要：

  提供了酞菁四羧酸二苯并咪唑磺衍生物。这些化合物形成的液晶体系具有优良的光学性能。所得到的液晶体系很容易涂覆在基材上，以获得在各个领域应用的光学各向同性或各向异性，至少部分结晶的薄膜。

  公开号：

  US20040215015A1
• 作为产物：
  描述：

  PTCADA disultone 、 邻苯二胺 以 溶剂黄146 为溶剂， 反应 5.0h， 生成 21,21,39,39-Tetraoxo-20,38-dioxa-21lambda6,39lambda6-dithia-8,15,26,33-tetrazatridecacyclo[22.18.1.16,40.02,22.03,19.04,41.05,17.07,15.09,14.025,33.027,32.035,43.037,42]tetratetraconta-1(43),2(22),3(19),4,6(44),7,9,11,13,17,23,25,27,29,31,35,37(42),40-octadecaene-16,34-dione 、 21,21,39,39-Tetraoxo-20,38-dioxa-21lambda6,39lambda6-dithia-8,15,26,33-tetrazatridecacyclo[22.18.1.16,40.02,22.03,19.04,41.05,17.07,15.09,14.026,34.027,32.035,43.037,42]tetratetraconta-1(43),2(22),3(19),4,6(44),7,9,11,13,17,23,27,29,31,33,35,37(42),40-octadecaene-16,25-dione
  参考文献：
  名称：

  Lyotropic liquid crystal systems based on perylenetetracarboxylic acid dibenzimidazole sulfoderivatives, related anisotropic films, and methods for making

  摘要：

  提供了酞菁四羧酸二苯并咪唑磺衍生物。这些化合物形成的液晶体系具有优良的光学性能。所得到的液晶体系很容易涂覆在基材上，以获得在各个领域应用的光学各向同性或各向异性，至少部分结晶的薄膜。

  公开号：

  US20040215015A1

文献信息

• US7160485B2
  申请人：——

  公开号：US7160485B2

  公开（公告）日：2007-01-09
• Lyotropic liquid crystal systems based on perylenetetracarboxylic acid dibenzimidazole sulfoderivatives, related anisotropic films, and methods for making
  申请人：——

  公开号：US20040215015A1

  公开（公告）日：2004-10-28

  Sulfoderivatives of perylenetetracarboxylic acid dibenzimidazole are provided. These compounds form liquid crystal systems possessing high quality optical properties. The resulting liquid crystal systems are readily applicable onto a substrate to obtain optically isotropic or anisotropic, at least partially crystalline films applicable in various fields.

  提供了酞菁四羧酸二苯并咪唑磺衍生物。这些化合物形成的液晶体系具有优良的光学性能。所得到的液晶体系很容易涂覆在基材上，以获得在各个领域应用的光学各向同性或各向异性，至少部分结晶的薄膜。