2-(5-(3,3-dimethyl-1-propylindolin-2-ylidene)-3-(quinolin-2-yl)penta-1,3-dien-1-yl)-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide | 1609656-30-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(5-(3,3-dimethyl-1-propylindolin-2-ylidene)-3-(quinolin-2-yl)penta-1,3-dien-1-yl)-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide
• CAS: 1609656-30-5
• 化学式: C₄₀H₄₄N₃*I
• 分子量: 693.714
• InChiKey: ZCNZWSBNESBMJA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.76
• 重原子数：
  44.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  19.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2-quinolylmalondialdehyde 、 2,3,3-三甲基-1-丙基-3H-吲哚碘 在 三乙胺 作用下， 以 正丁醇 为溶剂， 反应 18.0h， 以45%的产率得到2-(5-(3,3-dimethyl-1-propylindolin-2-ylidene)-3-(quinolin-2-yl)penta-1,3-dien-1-yl)-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide
  参考文献：
  名称：

  Pentamethinium fluorescent probes: The impact of molecular structure on photophysical properties and subcellular localization

  摘要：

  The performance of fluorescent probes arises from their structural basis. In this study, we report design and synthesis of a series of novel symmetrical gamma-substituted pentamethinium fluorescent probes. Relationship between structure, photophysical properties and intracellular localization was explored and structural variations resulting in high photostabillity and selectivity for subcellular localization were obtained. Substitution of benzothiazolium moieties on both sides of the pentamethinium chain for indolium units led to red shift in the absorption and fluorescence emission maxima of the probe and increased photostability. The major advantage of the probes with side indolium units is their mitochondrial specificity, high photostability and synthetic accessibility. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.12.021