| 1158732-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• CAS: 1158732-03-6；850612-21-4
• 化学式: C₄₄H₄₃ClN₂O₆S₂
• 分子量: 795.42
• InChiKey: BKFZVCIRRJWBEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.46
• 重原子数：
  55.0
• 可旋转键数：
  9.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  117.82
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  10-aza-1,4-dioxa-7,13-dithiacyclopentadecane 、 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以53%的产率得到1-benzyl-2-(2-(3-(2-(1-benzyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)ethylidene)-2-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
  参考文献：
  名称：

  Visible Near-Infrared Chemosensor for Mercury Ion

  摘要：

  A visible near-infrared chemosensor (MCy-1) for mercury ions was successfully devised and characterized. A large red-shift (122 nm) of the absorption maximum of MCy-1 was observed. An important feature for the new chemosensor is its high selectivity towards mercury ions over the other competitive species, making the "naked-eye" detection of mercury ions possible.

  DOI：

  10.1021/ol800197t

文献信息

• Tuning the photoinduced electron transfer in near-infrared heptamethine cyanine dyes
  作者：Fengling Song、Xiaojun Peng、Erhu Lu、Yanan Wang、Wei Zhou、Jiangli Fan

  DOI：10.1016/j.tetlet.2005.04.089

  日期：2005.7

  An efficient photoinduced electron transfer (PET) system in near-infrared region was described. The PET in heptamethine cyanine dyes was tuned by changing the electron-donating ability of the substituent at the central position of the polymehine chain. 4-Aminophenylthio-substitution led to an efficient PET and the lowest fluorescence quantum yield. The acetylation, protonation or transition metal cation

  描述了一种有效的近红外区域光致电子转移（PET）系统。通过改变多甲基胺链中心位置上取代基的给电子能力，可以调节七甲胺花菁染料中的PET。4-氨基苯硫基取代导致高效的PET和最低的荧光量子产率。氨基的乙酰化，质子化或过渡金属阳离子配位可通过抑制PET极大地恢复荧光。
• Heptamethine Cyanine Dyes with a Large Stokes Shift and Strong Fluorescence:  A Paradigm for Excited-State Intramolecular Charge Transfer
  作者：Xiaojun Peng、Fengling Song、Erhu Lu、Yanan Wang、Wei Zhou、Jiangli Fan、Yunling Gao

  DOI：10.1021/ja043413z

  日期：2005.3.1

  New heptamethine cyanine dyes with an alkylamino group at the central position were found to exhibit a large Stokes shift (>140 nm) and strong fluorescence. They were suggested to be a new paradigm for excited-state intramolecular charge transfer (ICT). The configuration change of the bridgehead amine accompanying ICT was investigated in different viscosity and pH media.