1,5-diphenylamine 2,6-bis(2-[4-[2-(5-chloro-2-methyl-3-thienyl)cyclopent-1-en-1-yl]-5-methyl]thienyl)benzo[1,2-d:4,5-d']diimidazole | 1217433-85-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1,5-diphenylamine 2,6-bis(2-[4-[2-(5-chloro-2-methyl-3-thienyl)cyclopent-1-en-1-yl]-5-methyl]thienyl)benzo[1,2-d:4,5-d']diimidazole
• 英文别名: 4-[3-(4-Aminophenyl)-2,6-bis[4-[2-(5-chloro-2-methylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]imidazo[4,5-f]benzimidazol-7-yl]aniline
• CAS: 1217433-85-6
• 化学式: C₅₀H₄₂Cl₂N₆S₄
• 分子量: 926.094
• InChiKey: CLEKQOIEQOAAJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  62
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  201
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,5-diphenylamine 2,6-bis(2-[4-[2-(5-chloro-2-methyl-3-thienyl)cyclopent-1-en-1-yl]-5-methyl]thienyl)benzo[1,2-d:4,5-d']diimidazole 生成 4-[3-(4-Aminophenyl)-2,6-bis(14-chloro-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)imidazo[4,5-f]benzimidazol-7-yl]aniline
  参考文献：
  名称：

  Bandrowski’s Base Revisited: Toward a Unprecedented Class of Quinonediimines or New Two-Way Chromophoric Molecular Switches

  摘要：

  Temperature-con trolled reactivity places Bandrowski's base 3 at the crossroads of a new versatile strategy for the preparation of two different categories of chromophores. We describe the access to a new class of quinonediimines (8) with an extended pi-conjugation owing to the presence of imine functions. Under slightly different conditions, Bandrowski's base appears to be the precursor of choice in the preparation of a novel pH- and liglit-dependent binary molecular switch. This molecule (11) is constituted of a benzobis(imidazole) core that can be reversibly protonated and a diarylethene unit which can be reversibly converted into its closed form upon irradiation. Triggered by two independent variables, 11 provides four distinct optical states for molecular number processing.

  DOI：

  10.1021/jo902437u
• 作为产物：
  描述：

  4-[3-(4-Aminophenyl)-2,6-bis(14-chloro-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)imidazo[4,5-f]benzimidazol-7-yl]aniline 反应 0.33h， 生成 1,5-diphenylamine 2,6-bis(2-[4-[2-(5-chloro-2-methyl-3-thienyl)cyclopent-1-en-1-yl]-5-methyl]thienyl)benzo[1,2-d:4,5-d']diimidazole
  参考文献：
  名称：

  Bandrowski’s Base Revisited: Toward a Unprecedented Class of Quinonediimines or New Two-Way Chromophoric Molecular Switches

  摘要：

  Temperature-con trolled reactivity places Bandrowski's base 3 at the crossroads of a new versatile strategy for the preparation of two different categories of chromophores. We describe the access to a new class of quinonediimines (8) with an extended pi-conjugation owing to the presence of imine functions. Under slightly different conditions, Bandrowski's base appears to be the precursor of choice in the preparation of a novel pH- and liglit-dependent binary molecular switch. This molecule (11) is constituted of a benzobis(imidazole) core that can be reversibly protonated and a diarylethene unit which can be reversibly converted into its closed form upon irradiation. Triggered by two independent variables, 11 provides four distinct optical states for molecular number processing.

  DOI：

  10.1021/jo902437u