N-[2-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyl]-2-[4-[4-[2-[5-[4-[2-[2-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethylimino]-2-hydroxyethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethanimidic acid | 1146224-23-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-[2-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyl]-2-[4-[4-[2-[5-[4-[2-[2-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethylimino]-2-hydroxyethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethanimidic acid
• CAS: 1146224-23-8
• 化学式: C₉₁H₉₆N₈O₈S₂
• 分子量: 1493.94
• InChiKey: XKQRMQUGGDADIY-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  109
• 可旋转键数：
  28
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  212
• 氢给体数：
  2
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  N-[2-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyl]-2-chloroacetamide 、 4,4'-(4,4'-(cyclopent-1-ene-1,2-diyl)bis(5-methylthiophene-4,2-diyl))diphenol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以74%的产率得到N-[2-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyl]-2-[4-[4-[2-[5-[4-[2-[2-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethylimino]-2-hydroxyethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethanimidic acid
  参考文献：
  名称：

  Optic and proton dual-control of the fluorescence of Rhodamine based on photochromic diarylethene: mimicking the performance of an integrated logic gate

  摘要：

  A proton and optic dual-responsive fluorescence switch dyad which contains Rhodamine and photochromic diarylethene has been designed and an integrated logic circuit at the molecular level has been proposed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.093

文献信息

• Optic and proton dual-control of the fluorescence of Rhodamine based on photochromic diarylethene: mimicking the performance of an integrated logic gate
  作者：Haiyan Zheng、Weidong Zhou、Mingjian Yuan、Xiaodong Yin、Zicheng Zuo、Canbin Ouyang、Huibiao Liu、Yuliang Li、Daoben Zhu

  DOI：10.1016/j.tetlet.2009.01.093

  日期：2009.4

  A proton and optic dual-responsive fluorescence switch dyad which contains Rhodamine and photochromic diarylethene has been designed and an integrated logic circuit at the molecular level has been proposed. (C) 2009 Elsevier Ltd. All rights reserved.