5-(18-heptadecan-9-yl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)pentyl 6-[3-[(E)-2-[3,5-bis[(E)-2-(9-hexylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazol-9-yl]hexanoate | 1242141-18-9

• 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: 5-(18-heptadecan-9-yl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)pentyl 6-[3-[(E)-2-[3,5-bis[(E)-2-(9-hexylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazol-9-yl]hexanoate
• CAS: 1242141-18-9
• 化学式: C₁₁₂H₁₁₉N₅O₆
• 分子量: 1631.21
• InChiKey: IPPQOBDSTTVHHX-SFDPOLNPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.9
• 重原子数：
  123
• 可旋转键数：
  44
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  7-Heptadecan-9-yl-18-(5-hydroxypentyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone 、 6-(3-((E)-3,5-bis((E)-2-(9-hexyl-9H-carbazol-3-yl)vinyl)styryl)-9H-carbazol-9-yl)hexanoic acid 在 N,N'-二环己基碳二亚胺 、 DPTS 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以78.8%的产率得到5-(18-heptadecan-9-yl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)pentyl 6-[3-[(E)-2-[3,5-bis[(E)-2-(9-hexylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazol-9-yl]hexanoate
  参考文献：
  名称：

  Synthesis and Characterization of Molecular Dyads Containing a Carbazolyl Based-Donor and Perylenediimide Based-Acceptor

  摘要：

  New molecular dyads containing perylenediimide (PTCDI) as an electron acceptor and carbazolyl derivative as an electron donor have been successfully synthesized. Cyclic voltammetry and absorption spectroscopy show that both electroactive units preserve their intrinsic nature, whereas photophysical investigations display a efficient fluorescence quenching. The molecular dyads such as 4 and 5 exhibited unique electronic energy levels to facilitate the photoinduced electron transfer process.

  DOI：

  10.1080/15421400902939546

文献信息

• Synthesis and Characterization of Molecular Dyads Containing a Carbazolyl Based-Donor and Perylenediimide Based-Acceptor
  作者：Ki Won Lee、Myung Hee Kim、Min Ju Cho、Kyung Hwan Kim、Tae Wan Lee、Dong Hoon Choi

  DOI：10.1080/15421400902939546

  日期：2009.6.18

  New molecular dyads containing perylenediimide (PTCDI) as an electron acceptor and carbazolyl derivative as an electron donor have been successfully synthesized. Cyclic voltammetry and absorption spectroscopy show that both electroactive units preserve their intrinsic nature, whereas photophysical investigations display a efficient fluorescence quenching. The molecular dyads such as 4 and 5 exhibited unique electronic energy levels to facilitate the photoinduced electron transfer process.