9,9,18,18,27,27-Hexabutyl-5,14,23-triiodoheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene | 1036367-21-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 9,9,18,18,27,27-Hexabutyl-5,14,23-triiodoheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
• CAS: 1036367-21-1
• 化学式: C₅₁H₆₃I₃
• 分子量: 1056.77
• InChiKey: ZPLYRGUGSRKAOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.1
• 重原子数：
  54
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  9,9,18,18,27,27-Hexabutyl-5,14,23-triiodoheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene 、 N,N-二苯基-4-乙烯基苯胺 在 palladium diacetate potassium phosphate 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 为溶剂， 反应 24.0h， 以41%的产率得到4-[(E)-2-[9,9,18,18,27,27-hexabutyl-14,23-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]ethenyl]-N,N-diphenylaniline
  参考文献：
  名称：

  A facile convergent procedure for the preparation of triphenylamine-based dendrimers with truxene cores

  摘要：

  A simple convergent procedure has been developed for the preparation of triphenylamine dendrons containing an alkene at the center, which can be coupled in a single step to give dendrimers that contain truxene for the core without any protection-deprotection chemistry. These conjugated dendrimers exhibit similar absorption and emission behaviors in solutions and in thin films, which are indicative of the high isolation effect of well-organized three-dimensional dendrimers. They also have high fluorescence quantum yields and high glass transition temperatures, which indicate that these dendrimers are candidates for the application in OLED as light emitting materials. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2008.04.021
• 作为产物：
  描述：

  5,5,10,10,15,15-hexabutyltruxene 在 溶剂黄146 硫酸 、 碘 、 高碘酸 作用下， 以 氯仿 、 水 为溶剂， 反应 72.0h， 以61.8%的产率得到9,9,18,18,27,27-Hexabutyl-5,14,23-triiodoheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
  参考文献：
  名称：

  A facile convergent procedure for the preparation of triphenylamine-based dendrimers with truxene cores

  摘要：

  A simple convergent procedure has been developed for the preparation of triphenylamine dendrons containing an alkene at the center, which can be coupled in a single step to give dendrimers that contain truxene for the core without any protection-deprotection chemistry. These conjugated dendrimers exhibit similar absorption and emission behaviors in solutions and in thin films, which are indicative of the high isolation effect of well-organized three-dimensional dendrimers. They also have high fluorescence quantum yields and high glass transition temperatures, which indicate that these dendrimers are candidates for the application in OLED as light emitting materials. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2008.04.021