N-[(2-phenyl-2H-1,2,3-triazol-4-yl)-methylene]-2-(2-(2-phenyl-2H-1,2,3-triazol-4-yl)-3-{2-[(2-phenyl-2H-1,2,3-triazol-4-yl)methyleneamino]ethyl}-imidazolidin-1-yl)ethanamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[(2-phenyl-2H-1,2,3-triazol-4-yl)-methylene]-2-(2-(2-phenyl-2H-1,2,3-triazol-4-yl)-3-{2-[(2-phenyl-2H-1,2,3-triazol-4-yl)methyleneamino]ethyl}-imidazolidin-1-yl)ethanamine
• 英文别名: N-[(2-Phenyl-2H-1,2,3-triazol-4-yl)methylene]-2-(2-(2-phenyl-2H-1,2,3-triazol-4-yl)-3-{2-[(2-phenyl-2H-1,2,3-triazol-4-yl)methyleneamino]ethyl}imidazolidin-1-yl)ethanamine；1-(2-phenyltriazol-4-yl)-N-[2-[2-(2-phenyltriazol-4-yl)-3-[2-[(2-phenyltriazol-4-yl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]methanimine
• 化学式: C₃₃H₃₃N₁₃
• 分子量: 611.712
• InChiKey: LAGKDRYFODZRRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-苯基-1,2,3-三唑-4-甲醛 、 三乙烯四胺 在 溶剂黄146 作用下， 反应 4.0h， 以85%的产率得到N-[(2-phenyl-2H-1,2,3-triazol-4-yl)-methylene]-2-(2-(2-phenyl-2H-1,2,3-triazol-4-yl)-3-{2-[(2-phenyl-2H-1,2,3-triazol-4-yl)methyleneamino]ethyl}-imidazolidin-1-yl)ethanamine
  参考文献：
  名称：

  N-[(2-Phenyl-2H-1,2,3-triazol-4-yl)methylene]-2-(2-(2-phenyl-2H-1,2,3-triazol-4-yl)-3-{2-[(2-phenyl-2H-1,2,3-triazol-4-yl)methyleneamino]ethyl}imidazolidin-1-yl)ethanamine

  摘要：

  The reaction of 2-phenyl-2H-1,2,3-triazole-4-carbaldehyde with triethylenetetramine leads to the formation of a new binucleating ligand, viz. the title compound, C(33)H(33)N(13), demonstrating that this structure has the potential for more flexible rational design and tailoring. The title molecule is rendered quite rigid by the formation of a five-membered imidazolidine ring and there are four independent instances of pi-pi interactions. Both sides of each of the three aromatic arms take part in these interactions, forming a neat three-dimensional array structure.

  DOI：

  10.1107/s0108270108019033