2,5-Bis[2-[2,5-didodecoxy-4-(2-phenylethynyl)phenyl]ethynyl]thiophene;bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-[[3-[5-[4-[5-[3,5-bis[[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]carbamoyl]anilino]-5-oxopentoxy]-2,5-bis[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenoxy]pentanoylamino]-5-[[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]carbamoyl]benzoyl]amino]benzene-1,3-dicarboxylate

• 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: 2,5-Bis[2-[2,5-didodecoxy-4-(2-phenylethynyl)phenyl]ethynyl]thiophene;bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-[[3-[5-[4-[5-[3,5-bis[[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]carbamoyl]anilino]-5-oxopentoxy]-2,5-bis[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenoxy]pentanoylamino]-5-[[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]carbamoyl]benzoyl]amino]benzene-1,3-dicarboxylate
• 英文别名: 2,5-bis[2-[2,5-didodecoxy-4-(2-phenylethynyl)phenyl]ethynyl]thiophene;bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-[[3-[5-[4-[5-[3,5-bis[[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]carbamoyl]anilino]-5-oxopentoxy]-2,5-bis[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenoxy]pentanoylamino]-5-[[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]carbamoyl]benzoyl]amino]benzene-1,3-dicarboxylate
• 化学式: C236H296N6O52S
• 分子量: 4081.0
• InChiKey: JALRTIITXSLLBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  39.91
• 重原子数：
  295
• 可旋转键数：
  174
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  690
• 氢给体数：
  6
• 氢受体数：
  53