9,23-Bis(2-decyltetradecyl)-8,10,22,24-tetraoxo-9,23-diazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3(15),4,6,11,13,16,18,20,25,27-undecaene-2,16-dicarbonitrile | 1266676-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯
• 英文名称: 9,23-Bis(2-decyltetradecyl)-8,10,22,24-tetraoxo-9,23-diazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3(15),4,6,11,13,16,18,20,25,27-undecaene-2,16-dicarbonitrile
• 英文别名: 9,23-bis(2-decyltetradecyl)-8,10,22,24-tetraoxo-9,23-diazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3(15),4,6,11,13,16,18,20,25,27-undecaene-2,16-dicarbonitrile
• CAS: 1266676-40-7
• 化学式: C₇₆H₁₀₆N₄O₄
• 分子量: 1139.7
• InChiKey: OAHSWAWRGDWVCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.9
• 重原子数：
  84
• 可旋转键数：
  44
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  10,24-Bis(2-decyltetradecyl)-29,30-dioxa-10,24-diazanonacyclo[17.9.1.15,15.02,18.04,16.06,14.08,12.020,28.022,26]triaconta-2(18),3,16-triene-9,11,23,25-tetrone 在 1,1'-双(二苯基膦)二茂铁 、 tris-(dibenzylideneacetone)dipalladium(0) 、 三氟甲磺酸三甲基硅酯 、 溴 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 1,4-二氧六环 、 四氯化碳 、 氯仿 为溶剂， 反应 23.0h， 生成 9,23-Bis(2-decyltetradecyl)-8,10,22,24-tetraoxo-9,23-diazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3(15),4,6,11,13,16,18,20,25,27-undecaene-2,16-dicarbonitrile
  参考文献：
  名称：

  6,13-Dibromopentacene [2,3:9,10]-Bis(dicarboximide): A Versatile Building Block for Stable Pentacene Derivatives

  摘要：

  6,13-Dibromopentacene [2,3:9,10]-bis(dicarboximide) (1) was synthesized for the first time by using in situ generated benzo[1,2-c:4,5-c']difuran as a key intermediate. Compound 1 exhibits good photostability in comparison to other pentacene derivatives and it can be further functionalized by Pd-catalyzed coupling reactions to give a series of soluble and stable functional pentacenes.

  DOI：

  10.1021/ol102971a

文献信息

• 6,13-Dibromopentacene [2,3:9,10]-Bis(dicarboximide): A Versatile Building Block for Stable Pentacene Derivatives
  作者：Hemi Qu、Weibin Cui、Jinling Li、Jinjun Shao、Chunyan Chi

  DOI：10.1021/ol102971a

  日期：2011.3.4

  6,13-Dibromopentacene [2,3:9,10]-bis(dicarboximide) (1) was synthesized for the first time by using in situ generated benzo[1,2-c:4,5-c']difuran as a key intermediate. Compound 1 exhibits good photostability in comparison to other pentacene derivatives and it can be further functionalized by Pd-catalyzed coupling reactions to give a series of soluble and stable functional pentacenes.