3-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-(3-phenylbenzo[f]chromen-3-yl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-3-phenylbenzo[f]chromene | 1242271-79-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-(3-phenylbenzo[f]chromen-3-yl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-3-phenylbenzo[f]chromene
• 英文别名: 3-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(3-phenylbenzo[f]chromen-3-yl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-3-phenylbenzo[f]chromene
• CAS: 1242271-79-9
• 化学式: C₅₃H₃₄F₆O₂S₂
• 分子量: 880.974
• InChiKey: KIQBWZFFZNVLON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.5
• 重原子数：
  63
• 可旋转键数：
  6
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  74.9
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  3-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-(3-phenylbenzo[f]chromen-3-yl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-3-phenylbenzo[f]chromene 以 甲苯 为溶剂， 生成 、 、 、 、
  参考文献：
  名称：

  Bridging the Visible: The Modulation of the Absorption by More than 450 nm

  摘要：

  The coexistence of 18 isomers, identified by NMR spectroscopy and gathered into six states with very different absorption properties, is observed upon irradiation with selective wavelengths of a triphotochromic system joining two naphthopyran entities through a dithienylethene bridge. The sequential electronic coupling of photochromic groups resulted in an absorption behavior reaching far into NIR.

  DOI：

  10.1021/ol101672v
• 作为产物：
  描述：

  3-(4-bromo-5-methylthiophen-2-yl)-3-phenyl-[3H]-naphto[2,1-b]pyran 、 全氟环戊烯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以44%的产率得到3-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-(3-phenylbenzo[f]chromen-3-yl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-3-phenylbenzo[f]chromene
  参考文献：
  名称：

  Bridging the Visible: The Modulation of the Absorption by More than 450 nm

  摘要：

  The coexistence of 18 isomers, identified by NMR spectroscopy and gathered into six states with very different absorption properties, is observed upon irradiation with selective wavelengths of a triphotochromic system joining two naphthopyran entities through a dithienylethene bridge. The sequential electronic coupling of photochromic groups resulted in an absorption behavior reaching far into NIR.

  DOI：

  10.1021/ol101672v

文献信息

• Bridging the Visible: The Modulation of the Absorption by More than 450 nm
  作者：Stéphanie Delbaere、Gaston Vermeersch、Michel Frigoli、Georg H. Mehl

  DOI：10.1021/ol101672v

  日期：2010.9.17

  The coexistence of 18 isomers, identified by NMR spectroscopy and gathered into six states with very different absorption properties, is observed upon irradiation with selective wavelengths of a triphotochromic system joining two naphthopyran entities through a dithienylethene bridge. The sequential electronic coupling of photochromic groups resulted in an absorption behavior reaching far into NIR.