9,23-Bis(2-decyltetradecyl)-2,16-bis[2-[4-(dimethylamino)phenyl]ethynyl]-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-8,10,22,24-tetrone | 1266676-41-8

• 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)-2,16-bis[2-[4-(dimethylamino)phenyl]ethynyl]-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-8,10,22,24-tetrone
• 英文别名: 9,23-bis(2-decyltetradecyl)-2,16-bis[2-[4-(dimethylamino)phenyl]ethynyl]-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-8,10,22,24-tetrone
• CAS: 1266676-41-8
• 化学式: C₉₄H₁₂₆N₄O₄
• 分子量: 1376.06
• InChiKey: DVFDKYJGZXKYIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  32.8
• 重原子数：
  102
• 可旋转键数：
  50
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,16-Dibromo-9,23-bis(2-decyltetradecyl)-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-8,10,22,24-tetrone 、 4-二甲基氨基苯乙炔 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以100%的产率得到9,23-Bis(2-decyltetradecyl)-2,16-bis[2-[4-(dimethylamino)phenyl]ethynyl]-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-8,10,22,24-tetrone
  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.