6-Methoxy-2-[1-[4-[2-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxyphenyl]triazol-4-yl]-1,3-benzothiazole | 1417649-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-Methoxy-2-[1-[4-[2-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxyphenyl]triazol-4-yl]-1,3-benzothiazole
• 英文别名: 6-methoxy-2-[1-[4-[2-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxyphenyl]triazol-4-yl]-1,3-benzothiazole
• CAS: 1417649-88-7
• 化学式: C₄₈H₄₇N₆O₂S
• 分子量: 772.006
• InChiKey: XYKKBGYAIAGLAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  57
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  96.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-azidophenol 在 铜 、 sodium hydride 、 copper(II) sulfate 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 生成 6-Methoxy-2-[1-[4-[2-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxyphenyl]triazol-4-yl]-1,3-benzothiazole
  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.