1,2-bis[2-methyl-6-(4-diphenylamino)phenyl-benzo(b)thiophen-3-yl]hexafluorocyclopentene | 406727-11-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,2-bis[2-methyl-6-(4-diphenylamino)phenyl-benzo(b)thiophen-3-yl]hexafluorocyclopentene
• 英文别名: 4-[3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-6-[4-(N-phenylanilino)phenyl]-1-benzothiophen-3-yl]cyclopenten-1-yl]-2-methyl-1-benzothiophen-6-yl]-N,N-diphenylaniline
• CAS: 406727-11-5
• 化学式: C₅₉H₄₀F₆N₂S₂
• 分子量: 955.102
• InChiKey: HZZXKXMPBSFTJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  69
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  63
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,2-bis[2-methyl-6-(4-diphenylamino)phenyl-benzo(b)thiophen-3-yl]hexafluorocyclopentene 生成
  参考文献：
  名称：

  Carrier mobility of photochromic diarylethene amorphous films

  摘要：

  Photochromic diarylethenes (DAEs) have gained attention as attractive current switching materials by light irradiation in the organic electronics field. We investigated the hole mobility of amorphous films consisting of three types of DAEs using a space-charge-limited current method and a better chemical structure to achieve high mobility. The hole mobility of open-ring (colorless) DAE having benzothiophene rings substituted with triphenylamine (TPA) as an aryl group was 2 x 10(4) times (2 x 10(-6) cm(2)/V s) larger than that of DAE containing thiophene rings without TPA. When the DAE film was irradiated with ultraviolet (UV) light, the hole mobility decreased temporarily at 4% of closed-ring (colored) isomers and then increased to two-three times of the initial colorless state at 85% of the closed-ring isomers. The temporary decrease in the hole mobility originated in the hole trapping effect of the closed-ring molecules in a matrix consisting of open-ring isomers. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.orgel.2014.06.032
• 作为产物：
  描述：

  生成 1,2-bis[2-methyl-6-(4-diphenylamino)phenyl-benzo(b)thiophen-3-yl]hexafluorocyclopentene
  参考文献：
  名称：

  Carrier mobility of photochromic diarylethene amorphous films

  摘要：

  Photochromic diarylethenes (DAEs) have gained attention as attractive current switching materials by light irradiation in the organic electronics field. We investigated the hole mobility of amorphous films consisting of three types of DAEs using a space-charge-limited current method and a better chemical structure to achieve high mobility. The hole mobility of open-ring (colorless) DAE having benzothiophene rings substituted with triphenylamine (TPA) as an aryl group was 2 x 10(4) times (2 x 10(-6) cm(2)/V s) larger than that of DAE containing thiophene rings without TPA. When the DAE film was irradiated with ultraviolet (UV) light, the hole mobility decreased temporarily at 4% of closed-ring (colored) isomers and then increased to two-three times of the initial colorless state at 85% of the closed-ring isomers. The temporary decrease in the hole mobility originated in the hole trapping effect of the closed-ring molecules in a matrix consisting of open-ring isomers. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.orgel.2014.06.032