7-[2-[2-(1,3,3-Trimethylindol-1-ium-2-yl)ethenyl]-6-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxychromen-2-one | 1417649-86-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-[2-[2-(1,3,3-Trimethylindol-1-ium-2-yl)ethenyl]-6-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxychromen-2-one
• 英文别名: 7-[2-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxychromen-2-one
• CAS: 1417649-86-5
• 化学式: C₄₁H₄₁N₂O₃
• 分子量: 609.788
• InChiKey: YESMXGBINSHZJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  46
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  41.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-羟基香豆素 、 IR780 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 以38%的产率得到7-[2-[2-(1,3,3-Trimethylindol-1-ium-2-yl)ethenyl]-6-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxychromen-2-one
  参考文献：
  名称：

  Ultra pseudo-Stokes shift near infrared dyes based on energy transfer

  摘要：

  Novel fluorescent dyes with ultra pseudo-Stokes shift were prepared based on intramolecular energy transfer between a fluorescent donor and a cyanine-7 acceptor. The prepared dyes could be excited at similar to 310 nm and emit fluorescence at similar to 780 nm. The energy transfer efficiencies of the system are found to be >94%. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.060

文献信息

• Ultra pseudo-Stokes shift near infrared dyes based on energy transfer
  作者：Junyan Han、Anthony Engler、Jianjun Qi、Ching-Hsuan Tung

  DOI：10.1016/j.tetlet.2012.11.060

  日期：2013.2

  Novel fluorescent dyes with ultra pseudo-Stokes shift were prepared based on intramolecular energy transfer between a fluorescent donor and a cyanine-7 acceptor. The prepared dyes could be excited at similar to 310 nm and emit fluorescence at similar to 780 nm. The energy transfer efficiencies of the system are found to be >94%. (C) 2012 Elsevier Ltd. All rights reserved.