56,62,71,75,78,81-Hexa(undecan-6-yl)-56,62,71,75,78,81-hexazapentacosacyclo[41.7.3.34,6.312,14.313,41.316,38.320,22.321,33.329,31.337,39.345,47.126,30.150,53.05,51.08,52.09,42.017,34.010,59.018,68.025,69.035,65.046,54.058,64.060,66.067,73]dooctaconta-1(50),2,4,6,8,10,12,14,16(66),17,19,21,23,25,27,29,31,33,35(65),36,38,40,42,44,46,48,51,53,58(64),59,67(73),68-dotriacontaene-55,57,61,63,70,72,74,76,77,79,80,82-dodecone | 1610377-75-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 56,62,71,75,78,81-Hexa(undecan-6-yl)-56,62,71,75,78,81-hexazapentacosacyclo[41.7.3.34,6.312,14.313,41.316,38.320,22.321,33.329,31.337,39.345,47.126,30.150,53.05,51.08,52.09,42.017,34.010,59.018,68.025,69.035,65.046,54.058,64.060,66.067,73]dooctaconta-1(50),2,4,6,8,10,12,14,16(66),17,19,21,23,25,27,29,31,33,35(65),36,38,40,42,44,46,48,51,53,58(64),59,67(73),68-dotriacontaene-55,57,61,63,70,72,74,76,77,79,80,82-dodecone
• CAS: 1610377-75-7
• 化学式: C₁₄₂H₁₅₄N₆O₁₂
• 分子量: 2136.82
• InChiKey: LEUSOXPSBGEGGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  42.2
• 重原子数：
  160
• 可旋转键数：
  54
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  224
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  56,62,71,75,78,81-Hexa(undecan-6-yl)-56,62,71,75,78,81-hexazapentacosacyclo[41.7.3.34,6.312,14.313,41.316,38.320,22.321,33.329,31.337,39.345,47.126,30.150,53.05,51.08,52.09,42.017,34.010,59.018,68.025,69.035,65.046,54.058,64.060,66.067,73]dooctaconta-1(50),2,4,6,8,10,12,14,16(66),17,19,21,23,25,27,29,31,33,35(65),36,38,40,42,44,46,48,51,53,58(64),59,67(73),68-dotriacontaene-55,57,61,63,70,72,74,76,77,79,80,82-dodecone 在 溴 作用下， 以 二氯甲烷 为溶剂， 以30%的产率得到
  参考文献：
  名称：

  长的、原子上精确的供体-受体凹边纳米带作为电子受体

  摘要：

  该通讯描述了一种新的分子设计，用于高效合成供体-受体、凹边石墨烯纳米带及其在太阳能电池中的特性。这些纳米带很长（~5 nm）、原子级精确且可溶。该设计基于缺电子苝二酰亚胺低聚物与富电子烷氧基芘亚单元的融合。这种交替富电子和缺电子单元的策略促进了可见光聚变反应的产率 > 95%，而这些纳米带的凹边性质导致沿长轴的高度扭曲。骨架的刚性产生了尖锐的最长波长吸收边缘。这些纳米带是特殊的电子受体，用纳米带制造的有机光伏器件在未经优化的情况下显示出约 8% 的效率。

  DOI：

  10.1021/jacs.6b13093
• 作为产物：
  描述：

  C₁₄₂H₁₆₂N₆O₁₂ 在 碘 作用下， 以 甲苯 为溶剂， 反应 9.0h， 以62%的产率得到56,62,71,75,78,81-Hexa(undecan-6-yl)-56,62,71,75,78,81-hexazapentacosacyclo[41.7.3.34,6.312,14.313,41.316,38.320,22.321,33.329,31.337,39.345,47.126,30.150,53.05,51.08,52.09,42.017,34.010,59.018,68.025,69.035,65.046,54.058,64.060,66.067,73]dooctaconta-1(50),2,4,6,8,10,12,14,16(66),17,19,21,23,25,27,29,31,33,35(65),36,38,40,42,44,46,48,51,53,58(64),59,67(73),68-dotriacontaene-55,57,61,63,70,72,74,76,77,79,80,82-dodecone
  参考文献：
  名称：

  分子电子用螺旋带

  摘要：

  我们描述了一种新的石墨烯带结构的设计和合成，该结构由通过乙烯桥融合在一起的苝二亚胺 (PDI) 亚基组成。我们创建了由二聚体、三聚体和四聚体组成的低聚物原型系列。PDI 单元之间融合点的空间拥挤产生螺旋连接，较长的低聚物形成螺旋带。这些低聚物的薄膜形成 n 型场效应晶体管中的有源层。UV-vis 光谱揭示了四聚体中强烈的长波长跃迁的出现。从 DFT 计算，我们发现四聚体中 HOMO-2 到 LUMO 的跃迁与 HOMO 到 LUMO 的跃迁是等能的。我们使用飞秒瞬态吸收光谱直接探测这些跃迁。

  DOI：

  10.1021/ja503533y

文献信息

• [EN] ORGANIC SEMICONDUCTOR COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS SEMI-CONDUCTEURS ORGANIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV COLUMBIA

  公开号：WO2015171640A1

  公开（公告）日：2015-11-12

  Organic perylene diimide-based compounds are provided. Methods of producing the organic compounds is also provided as well as methods of their use including, among other things, their use as organic semiconductor materials.

  提供了基于有机苝二酰亚胺的化合物。还提供了生产这些有机化合物的方法，以及它们的使用方法，包括将它们用作有机半导体材料。
• ORGANIC SEMICONDUCTOR COMPOUNDS AND METHODS OF USE
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20170186961A1

  公开（公告）日：2017-06-29

  Organic perylene diimide-based compounds are provided. Methods of producing the organic compounds is also provided as well as methods of their use including, among other things, their use as organic semiconductor materials.