6,15,24-Tridodecyl-6,15,24-triazaheptacyclo[18.7.0.02,10.04,8.011,19.013,17.022,26]heptacosa-1(27),2,4(8),9,11,13(17),18,20,22(26)-nonaene-5,7,14,16,23,25-hexone | 1172639-87-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 6,15,24-Tridodecyl-6,15,24-triazaheptacyclo[18.7.0.02,10.04,8.011,19.013,17.022,26]heptacosa-1(27),2,4(8),9,11,13(17),18,20,22(26)-nonaene-5,7,14,16,23,25-hexone
• 英文别名: 6,15,24-tridodecyl-6,15,24-triazaheptacyclo[18.7.0.02,10.04,8.011,19.013,17.022,26]heptacosa-1(27),2,4(8),9,11,13(17),18,20,22(26)-nonaene-5,7,14,16,23,25-hexone
• CAS: 1172639-87-0
• 化学式: C₆₀H₈₁N₃O₆
• 分子量: 940.32
• InChiKey: QCZJZSUGPJADPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.4
• 重原子数：
  69
• 可旋转键数：
  33
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-十二烷基1H-吡咯-2,5-二酮 、 六全溴甲基苯 在 sodium iodide 、 溴 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 四氯化碳 为溶剂， 反应 62.0h， 以12%的产率得到6,15,24-Tridodecyl-6,15,24-triazaheptacyclo[18.7.0.02,10.04,8.011,19.013,17.022,26]heptacosa-1(27),2,4(8),9,11,13(17),18,20,22(26)-nonaene-5,7,14,16,23,25-hexone
  参考文献：
  名称：

  Electron-Deficient Triphenylene and Trinaphthylene Carboximides

  摘要：

  A series of triphenylene and trinaphthylene carboximides were synthesized mainly through Diels-Alder reactions between the in situ generated radialenes and N-alkylmaleimides. High electron affinity was obtained due to the attachment of electron-withdrawing carboximide groups. These disklike molecules can assemble into one-dimensional columnar structures in solid state and their mesophase properties were characterized by DSC, POM, and X-ray diffraction. Long-range ordered columnar phase was observed, qualifying them as potential n-type semiconductors in electronic devices.

  DOI：

  10.1021/ol901041n

文献信息

• Electron-Deficient Triphenylene and Trinaphthylene Carboximides
  作者：Jun Yin、Hemi Qu、Kai Zhang、Jing Luo、Xiaojie Zhang、Chunyan Chi、Jishan Wu

  DOI：10.1021/ol901041n

  日期：2009.7.16

  A series of triphenylene and trinaphthylene carboximides were synthesized mainly through Diels-Alder reactions between the in situ generated radialenes and N-alkylmaleimides. High electron affinity was obtained due to the attachment of electron-withdrawing carboximide groups. These disklike molecules can assemble into one-dimensional columnar structures in solid state and their mesophase properties were characterized by DSC, POM, and X-ray diffraction. Long-range ordered columnar phase was observed, qualifying them as potential n-type semiconductors in electronic devices.