(dipyridophenazine)-bis-(4,5'-di-tert-butyl-2-phenylpyridine(-1H))-iridium(III) chloride | 808143-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (dipyridophenazine)-bis-(4,5'-di-tert-butyl-2-phenylpyridine(-1H))-iridium(III) chloride
• CAS: 808143-13-7
• 化学式: C₅₆H₅₈IrN₆*Cl
• 分子量: 1042.79
• InChiKey: CJWMNZJPHPDVSJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  二吡啶并[3,2-a:2',3'-c]吩嗪 、 tetrakis-(4,5'-di-tert-butyl-2-phenylpyridine(-1H))-μ-(dichloro)-diiridium(III) 以 乙二醇 、 乙腈 为溶剂， 生成 (dipyridophenazine)-bis-(4,5'-di-tert-butyl-2-phenylpyridine(-1H))-iridium(III) chloride
  参考文献：
  名称：

  Accelerated Luminophore Discovery through Combinatorial Synthesis

  摘要：

  A method for accelerating the discovery of ionic luminophores using combinatorial techniques is reported. The photophysical properties of the resulting transition-metal-based chromophores were compared against a series of analogous, traditionally prepared species. The strong overlap between these two sets confirms the identity of the parallel synthesis products and supports the truthfulness of the combinatorial results. Further support for the combinatorial method comes from the adherence of these complexes to the energy gap law. The relationship between the structure of a complex and its photophysical properties was also considered, and static DFT calculations were used to assess whether it is feasible to predict the luminescent behavior of novel materials.

  DOI：

  10.1021/ja047156+