7-[7,7-Bis(2-ethylhexyl)-10-propan-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-methylbutan-2-yl)-1,7a-dihydro-2,1,3-benzothiadiazole

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 7-[7,7-Bis(2-ethylhexyl)-10-propan-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-methylbutan-2-yl)-1,7a-dihydro-2,1,3-benzothiadiazole
• 英文别名: 7-[7,7-bis(2-ethylhexyl)-10-propan-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-methylbutan-2-yl)-1,7a-dihydro-2,1,3-benzothiadiazole
• 化学式: C₃₉H₅₈N₂S₃
• 分子量: 651.1
• InChiKey: CHNRQQBRCCHHMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  44
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• THERMOELECTRIC CONVERSION MATERIAL AND THERMOELECTRIC CONVERSION ELEMENT
  申请人：FUJI-FILM Corporation

  公开号：EP2763200A1

  公开（公告）日：2014-08-06

  A thermoelectric conversion material containing an electrically conductive polymer and a thermal excitation assist agent, wherein the thermal excitation assist agent is a compound that does not form a doping level in the electrically conductive polymer, an energy level of LUMO (lowest unoccupied molecular orbital) of the thermal excitation assist agent and an energy level of HOMO (highest occupied molecular orbital) of the electrically conductive polymer satisfy following numerical expression (I): Numerical expression (I); 0.1⁢eV≤HOMO of an electrically conductive polymer-LUMO of a thermal excitation assistant agent≤1.9eV wherein, in numerical expression (I), |HOMO of an electrically conductive polymer| represents an absolute value of an energy level of HOMO of the electrically conductive polymer, and |LUMO of a thermal excitation assist agent| represents an absolute value of an energy level of LUMO of the thermal excitation assist agent, respectively.

  一种包含导电聚合物和热激发辅助剂的热电转换材料，其中热激发辅助剂为不在导电聚合物中形成掺杂水平的化合物，热激发辅助剂的 LUMO（最低未占据分子轨道）能级和导电聚合物的 HOMO（最高占据分子轨道）能级满足以下数值表达式（I）：数值表达式（I）；0.1eV≤导电聚合物的 HOMO-热激发辅助剂的 LUMO≤1.9eV 其中，在数值表达式（I）中，|导电聚合物的 HOMO|分别表示导电聚合物 HOMO 能级的绝对值，|热激发辅助剂的 LUMO|分别表示热激发辅助剂 LUMO 能级的绝对值。