N'-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-N-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[[N-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino]phenyl]-2,4-dimethylthiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]phenyl]carbamimidic acid | 1221483-00-6

• 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: N'-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-N-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[[N-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino]phenyl]-2,4-dimethylthiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]phenyl]carbamimidic acid
• CAS: 1221483-00-6
• 化学式: C₇₃H₉₈F₆N₈O₄S₂
• 分子量: 1329.75
• InChiKey: MZFUTNDYCKMTSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.2
• 重原子数：
  93
• 可旋转键数：
  40
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  222
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  N'-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-N-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[[N-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino]phenyl]-2,4-dimethylthiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]phenyl]carbamimidic acid 以 氯仿 为溶剂， 生成 N'-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-N-[4-[8,8,9,9,10,10-hexafluoro-14-[4-[[N-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino]phenyl]-1,2,5,13-tetramethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenyl]carbamimidic acid
  参考文献：
  名称：

  A Fully Photoreversible Supramolecular Polymer Having a Diarylethene Photoswitch

  摘要：

  The particle size of a supramolecular polymer composed of a diarylethene photoswitch and two quadruple hydrogen-bonding sites having C17 chain changes photoreversibly in tetrahydrofuran at room temperature, while that in a CHCl3 solution is not photoreversible but is reversible with the assistance of heat.

  DOI：

  10.1246/cl.2010.82
• 作为产物：
  描述：

  N'-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-N-[4-[8,8,9,9,10,10-hexafluoro-14-[4-[[N-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino]phenyl]-1,2,5,13-tetramethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenyl]carbamimidic acid 以 氯仿 为溶剂， 生成 N'-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-N-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[[N-(4-heptadecyl-6-hydroxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino]phenyl]-2,4-dimethylthiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]phenyl]carbamimidic acid
  参考文献：
  名称：

  A Fully Photoreversible Supramolecular Polymer Having a Diarylethene Photoswitch

  摘要：

  The particle size of a supramolecular polymer composed of a diarylethene photoswitch and two quadruple hydrogen-bonding sites having C17 chain changes photoreversibly in tetrahydrofuran at room temperature, while that in a CHCl3 solution is not photoreversible but is reversible with the assistance of heat.

  DOI：

  10.1246/cl.2010.82