dibenzo[g,q]-(2-{4-(2-triisopropylsilylethynyl)phenyl}-1-propylbenzimidazo[5,6-b:5',6'-l])porphyrazine-C2v | 887929-03-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: dibenzo[g,q]-(2-{4-(2-triisopropylsilylethynyl)phenyl}-1-propylbenzimidazo[5,6-b:5',6'-l])porphyrazine-C2v
• 英文别名: 2-[4-[18,37-Dipropyl-38-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]-2,11,16,18,23,32,37,39,43,44,45,46-dodecazaundecacyclo[31.9.1.13,10.112,22.124,31.04,9.013,21.015,19.025,30.034,42.036,40]hexatetraconta-1,3(46),4,6,8,10,12,14,16,19,21,23,25,27,29,31(44),32,34,36(40),38,41-henicosaen-17-yl]phenyl]ethynyl-tri(propan-2-yl)silane；2-[4-[18,37-dipropyl-38-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]-2,11,16,18,23,32,37,39,43,44,45,46-dodecazaundecacyclo[31.9.1.13,10.112,22.124,31.04,9.013,21.015,19.025,30.034,42.036,40]hexatetraconta-1,3(46),4,6,8,10,12,14,16,19,21,23,25,27,29,31(44),32,34,36(40),38,41-henicosaen-17-yl]phenyl]ethynyl-tri(propan-2-yl)silane
• CAS: 887929-03-5
• 化学式: C₇₄H₇₈N₁₂Si₂
• 分子量: 1191.68
• InChiKey: INGFBMRMCWNYCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.86
• 重原子数：
  88
• 可旋转键数：
  16
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(4-(2-(triisopropylsilyl)ethynyl)phenyl)-1-propylimidazo[4,5-f]isoindole-1,3-diimine 、 1,1,3-三氯异吲哚 在 三乙胺 、 sodium methylate 、 对苯二酚 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 6.0h， 生成 dibenzo[g,q]-(2-{4-(2-triisopropylsilylethynyl)phenyl}-1-propylbenzimidazo[5,6-b:5',6'-l])porphyrazine-C2v 、 dibenzo[g,q]-(2-{4-(2-triisopropylsilylethynyl)phenyl}-1-propylbenzimidazo[5,6-b:5',6'-l])porphyrazine-C2h
  参考文献：
  名称：

  Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom

  摘要：

  本发明提供了一种由基板和与基板结合的苯并咔唑卟啉制成的制品。该制品可以采用各种不同形式，例如电致变色显示器、分子电容器、电池、太阳能电池或分子存储器件。还描述了制造这种制品的方法，以及用于制造这种苯并咔唑卟啉的化合物、方法和中间体。

  公开号：

  US20110015388A1

文献信息

• Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom
  申请人：Youngblood W. Justin

  公开号：US20110015388A1

  公开（公告）日：2011-01-20

  The present invention provides an article of manufacture formed from a substrate and a benzazoloporphyrazine bound to the substrate. The article may take a variety of different forms and may be for example an electrochromic display, a molecular capacitor, a battery, a solar cell, or a molecular memory device. Methods of making such articles, along with compounds, methods and intermediates useful for making such benzazoloporphyrazines, are also described.

  本发明提供了一种由基板和与基板结合的苯并咔唑卟啉制成的制品。该制品可以采用各种不同形式，例如电致变色显示器、分子电容器、电池、太阳能电池或分子存储器件。还描述了制造这种制品的方法，以及用于制造这种苯并咔唑卟啉的化合物、方法和中间体。
• Synthesis of a New <i>trans</i>-A₂B₂ Phthalocyanine Motif as a Building Block for Rodlike Phthalocyanine Polymers
  作者：W. Justin Youngblood

  DOI：10.1021/jo052122l

  日期：2006.4.1

  Polyphthalocyanines have potential application in the development of electronic materials. One-dimensional polyphthalocyanines are accessible through monomers having a trans-A(2)B(2) structure, but the preparation of a truly linear polyphthalocyanine is challenging because of limitations imposed by the geometry of phthalocyanines and the methodology for their synthesis. Benzimidazoporphyrazines are a known class of extra-annulated phthalocyanines. A trans-A(2)B(2) benzimidazoporphyrazine is geometrically suitable for the preparation of rodlike polymers. A new synthesis of benzimidazoporphyrazines is presented as a stepping stone to the synthesis of trans-A(2)B(2) benzimidazoporphyrazines.