4,4'-(cyclopent-1-ene-1,2-diyl)bis(5-methyl-N-(2-(3-phenylureido)phenyl)thiophene-2-carboxamide) | 1345145-29-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,4'-(cyclopent-1-ene-1,2-diyl)bis(5-methyl-N-(2-(3-phenylureido)phenyl)thiophene-2-carboxamide)
• CAS: 1345145-29-0
• 化学式: C₄₃H₃₈N₆O₄S₂
• 分子量: 766.945
• InChiKey: SBAMCUQHSPJOOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.31
• 重原子数：
  55.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  140.46
• 氢给体数：
  6.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4,4'-(cyclopent-1-ene-1,2-diyl)bis(5-methyl-N-(2-(3-phenylureido)phenyl)thiophene-2-carboxamide) 生成 N-[2-[[14-[[2-[(C-hydroxy-N-phenylcarbonimidoyl)amino]phenyl]carbamoyl]-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-4-carbonyl]amino]phenyl]-N'-phenylcarbamimidic acid
  参考文献：
  名称：

  Amide- and Urea-Functionalized Dithienylethene: Synthesis, Photochromism, and Binding with Halide Anions

  摘要：

  A versatile amide- and urea-functionalized dithienylethene has been successfully synthesized. Upon Irradiation with UV or visible light, the compound showed excellent fatigue resistance. As a synthetic receptor, the dithienylethene displayed switchable affinities for Cl- and Br- anions when the UV/vis light was introduced. The switchable binding ability also had good reversibility.

  DOI：

  10.1021/ol202491e
• 作为产物：
  描述：

  N-[2-[[14-[[2-[(C-hydroxy-N-phenylcarbonimidoyl)amino]phenyl]carbamoyl]-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-4-carbonyl]amino]phenyl]-N'-phenylcarbamimidic acid 生成 4,4'-(cyclopent-1-ene-1,2-diyl)bis(5-methyl-N-(2-(3-phenylureido)phenyl)thiophene-2-carboxamide)
  参考文献：
  名称：

  Amide- and Urea-Functionalized Dithienylethene: Synthesis, Photochromism, and Binding with Halide Anions

  摘要：

  A versatile amide- and urea-functionalized dithienylethene has been successfully synthesized. Upon Irradiation with UV or visible light, the compound showed excellent fatigue resistance. As a synthetic receptor, the dithienylethene displayed switchable affinities for Cl- and Br- anions when the UV/vis light was introduced. The switchable binding ability also had good reversibility.

  DOI：

  10.1021/ol202491e