1'-[5-[4-[4-[2-[5-[4-[5-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)pentoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]pentyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] | 851768-96-2

• 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: 1'-[5-[4-[4-[2-[5-[4-[5-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)pentoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]pentyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
• CAS: 851768-96-2
• 化学式: C₇₃H₆₆F₆N₄O₈S₂
• 分子量: 1305.47
• InChiKey: ONXUFRSRSLWEEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.71
• 重原子数：
  93.0
• 可旋转键数：
  20.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  129.68
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  1'-[5-[4-[4-[2-[5-[4-[5-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)pentoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]pentyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] 在 三氟乙酸 作用下， 生成
  参考文献：
  名称：

  Selective photoswitching of a dyad with diarylethene and spiropyran units

  摘要：

  A dyad bearing diarylethene and spiropyran units were synthesized. Ultraviolet light, visible light, H+, and Fe3+ inputs induce lethene with spiropyran form (3), the colored closed form of diary ethene with the multiple interconversion among the colorless diary spiropyran form (4), ME (5), MEH (6, 7) and MEH center dot Fe3+ (8). The efficient energy transfer from the anthracene emission to MEH center dot Fe3+ or ME center dot Fe3+ form was achieved. Using multi-mode photo switching in a dyad 3, logic gates may be built. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.02.004
• 作为产物：
  描述：

  1'-[5-[4-[14-[4-[5-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)pentoxy]phenyl]-8,8,9,9,10,10-hexafluoro-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]pentyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] 以 甲苯 为溶剂， 反应 0.05h， 生成 1'-[5-[4-[4-[2-[5-[4-[5-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)pentoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]pentyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
  参考文献：
  名称：

  Selective photoswitching of a dyad with diarylethene and spiropyran units

  摘要：

  A dyad bearing diarylethene and spiropyran units were synthesized. Ultraviolet light, visible light, H+, and Fe3+ inputs induce lethene with spiropyran form (3), the colored closed form of diary ethene with the multiple interconversion among the colorless diary spiropyran form (4), ME (5), MEH (6, 7) and MEH center dot Fe3+ (8). The efficient energy transfer from the anthracene emission to MEH center dot Fe3+ or ME center dot Fe3+ form was achieved. Using multi-mode photo switching in a dyad 3, logic gates may be built. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.02.004