4,7-Bis(5-bromothiophen-2-yl)-5,6-difluoro-2-hexadecylbenzotriazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 4,7-Bis(5-bromothiophen-2-yl)-5,6-difluoro-2-hexadecylbenzotriazole
• 英文别名: 4,7-bis(5-bromothiophen-2-yl)-5,6-difluoro-2-hexadecylbenzotriazole
• 化学式: C₃₀H₃₇Br₂F₂N₃S₂
• 分子量: 701.6
• InChiKey: YEXZKCDQEOUXIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.3
• 重原子数：
  39
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  87.2
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• AMINE-CONTAINING DIFLUORO BENZOTRIAZOLYL POLYMER AND PREPARATION METHOD AND USE THEREOF
  申请人：Ocean's King Lighting Science&Technology Co., Ltd.

  公开号：EP2759559A1

  公开（公告）日：2014-07-30

  The present disclosure relates to the field of solar cells. An amine-containing difluoro benzotriazolyl polymer, preparation method, and use thereof are provided; the polymer has a structure as represented by formula (I), both R1 and R2 are alkyls from C1 to C20, n is an integer from 10 to 50. In the polymer of the present disclosure, because the 1, 2, 3-benzotriazole solar cell material contains two fluorine atoms, the HOMO energy level is reduced by 0.11eV, the fluorine-substituted 1, 2, 3-benzotriazole has two imido groups with strong electron-withdrawing property; the 1, 2, 3-benzotriazole is a heterocyclic compound with strong electron-withdrawing property, and an alkyl chain can be easily introduced to the N-position of the N-H bond of the benzotriazole; the functional group of the alkyl chain can improve solar energy conversion efficiency, thus solving the low efficiency problem of the solar cell made from the solar cell material.

  本公开涉及太阳能电池领域。本发明提供了一种含胺二氟苯并三唑聚合物、其制备方法及其用途；该聚合物具有式（I）所表示的结构、 R1和R2均为C1至C20的烷基，n为10至50的整数。在本公开的聚合物中，由于1，2，3-苯并三唑太阳能电池材料含有两个氟原子，HOMO能级降低了0.11eV，氟取代的1，2，3-苯并三唑具有两个具有强夺电子性的酰亚胺基团；1，2，3-苯并三唑是具有强夺电子性的杂环化合物，苯并三唑的N-H键的N位容易引入烷基链；烷基链的官能团可以提高太阳能转换效率，从而解决了太阳能电池材料制成的太阳能电池效率低的问题。
• AMINE-CONTAINING DIFLUORO BENZOTRIAZOLYL POLYMER, PREPARATION METHOD AND USE THEREOF
  申请人：Zhou Mingjie

  公开号：US20140128558A1

  公开（公告）日：2014-05-08

  The present disclosure relates to the field of solar cells. An amine-containing difluoro benzotriazolyl polymer, preparation method, and use thereof are provided; the polymer has a structure as represented by formula (I), both R 1 and R 2 are alkyls from C 1 to C 20 , n is an integer from 10 to 50. In the polymer of the present disclosure, because the 1, 2, 3-benzotriazole solar cell material contains two fluorine atoms, the HOMO energy level is reduced by 0.11 eV, the fluorine-substituted 1, 2, 3-benzotriazole has two imido groups with strong electron-withdrawing property; the 1, 2, 3-benzotriazole is a heterocyclic compound with strong electron-withdrawing property, and an alkyl chain can be easily introduced to the N-position of the N—H bond of the benzotriazole; the functional group of the alkyl chain can improve solar energy conversion efficiency, thus solving the low efficiency problem of the solar cell made from the solar cell material.
• US8871897B2
  申请人：——

  公开号：US8871897B2

  公开（公告）日：2014-10-28