N,N'-bis-(2,6-diisopropylphenyl)-3,4:9,10-dinaphtho-1,12:6,7-coronenetetracarboxdiimide | 1313508-05-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N,N'-bis-(2,6-diisopropylphenyl)-3,4:9,10-dinaphtho-1,12:6,7-coronenetetracarboxdiimide
• 英文别名: 8,27-Bis[2,6-di(propan-2-yl)phenyl]-8,27-diazatridecacyclo[23.19.1.16,42.02,23.03,12.04,43.05,10.013,22.015,20.029,45.031,44.032,41.034,39]hexatetraconta-1,3,5(10),6(46),11,13,15,17,19,21,23,25(45),29,31(44),32,34,36,38,40,42-icosaene-7,9,26,28-tetrone；8,27-bis[2,6-di(propan-2-yl)phenyl]-8,27-diazatridecacyclo[23.19.1.16,42.02,23.03,12.04,43.05,10.013,22.015,20.029,45.031,44.032,41.034,39]hexatetraconta-1,3,5(10),6(46),11,13,15,17,19,21,23,25(45),29,31(44),32,34,36,38,40,42-icosaene-7,9,26,28-tetrone
• CAS: 1313508-05-2
• 化学式: C₆₈H₅₀N₂O₄
• 分子量: 959.156
• InChiKey: AWPZWQRITMPYFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.1
• 重原子数：
  74
• 可旋转键数：
  6
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N,N'-bis(2,6-diisopropylphenyl)-1,6-dibromoperylene-3,4:9,10-tetracarboximide 、 1,7-二溴代苝二酰亚胺 、 三氟甲磺酸3-(三甲基硅基)-2-萘酯 在 cesium hydrogen fluoride 、 三(邻甲基苯基)磷 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 0.25h， 以46%的产率得到N,N'-bis-(2,6-diisopropylphenyl)-3,4:9,10-dinaphtho-1,12:6,7-coronenetetracarboxdiimide
  参考文献：
  名称：

  Core-Extended Perylene Tetracarboxdiimides: The Homologous Series of Coronene Tetracarboxdiimides

  摘要：

  Two novel coronenedilmide (CDI) derivatives, CDI 2 and dinaphtho-CDI 4, were synthesized via straightforward synthetic routes completing the homologous series of coronene tetracarboxdlimides, which show remarkable optical properties with absorption wavelengths ranging from 380 to 600 nm, high absorption coefficients, and high fluorescence quantum yields.

  DOI：

  10.1021/ol201623f

文献信息

• Core-Extended Perylene Tetracarboxdiimides: The Homologous Series of Coronene Tetracarboxdiimides
  作者：Christian Lütke Eversloh、Chen Li、Klaus Müllen

  DOI：10.1021/ol201623f

  日期：2011.8.5

  Two novel coronenedilmide (CDI) derivatives, CDI 2 and dinaphtho-CDI 4, were synthesized via straightforward synthetic routes completing the homologous series of coronene tetracarboxdlimides, which show remarkable optical properties with absorption wavelengths ranging from 380 to 600 nm, high absorption coefficients, and high fluorescence quantum yields.