4,17,23,42-Tetrahexyl-3,18,22,41-tetrathiatridecacyclo[31.6.5.02,6.07,38.08,13.014,37.015,19.020,36.021,25.026,35.027,32.034,39.040,44]tetratetraconta-1,4,6,8,10,12,14,16,19,21(25),23,26(35),27,29,31,33,36,38,40(44),42-icosaene | 1256935-83-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4,17,23,42-Tetrahexyl-3,18,22,41-tetrathiatridecacyclo[31.6.5.02,6.07,38.08,13.014,37.015,19.020,36.021,25.026,35.027,32.034,39.040,44]tetratetraconta-1,4,6,8,10,12,14,16,19,21(25),23,26(35),27,29,31,33,36,38,40(44),42-icosaene
• 英文别名: 4,17,23,42-tetrahexyl-3,18,22,41-tetrathiatridecacyclo[31.6.5.02,6.07,38.08,13.014,37.015,19.020,36.021,25.026,35.027,32.034,39.040,44]tetratetraconta-1,4,6,8,10,12,14,16,19,21(25),23,26(35),27,29,31,33,36,38,40(44),42-icosaene
• CAS: 1256935-83-7
• 化学式: C₆₄H₆₄S₄
• 分子量: 961.476
• InChiKey: QXOHJLGQZNYNCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.5
• 重原子数：
  68
• 可旋转键数：
  20
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6,13-bis(bis(5-hexylthiophen-2-yl)methylene)-6,13-dihydropentacene 在 碘 、 methyloxirane 作用下， 以 苯 为溶剂， 反应 4.0h， 以76%的产率得到4,17,23,42-Tetrahexyl-3,18,22,41-tetrathiatridecacyclo[31.6.5.02,6.07,38.08,13.014,37.015,19.020,36.021,25.026,35.027,32.034,39.040,44]tetratetraconta-1,4,6,8,10,12,14,16,19,21(25),23,26(35),27,29,31,33,36,38,40(44),42-icosaene
  参考文献：
  名称：

  光伏器件的网状异质结

  摘要：

  通过自组装在透明电极表面上形成有机半导体器件。供体（参见图片；二苯并四硫杂萘并，黄色层）以超分子电缆的形式沉积，随后受体（C 60，橙色）渗入该网络。该网络提供了在纳米级交织的供体-受体界面。当结合到太阳能电池中时，有源层大大提高了功率转换效率。

  DOI：

  10.1002/anie.201004055

文献信息

• Reticulated Heterojunctions for Photovoltaic Devices
  作者：Alon A. Gorodetsky、Chien-Yang Chiu、Theanne Schiros、Matteo Palma、Marshall Cox、Zhang Jia、Wesley Sattler、Ioannis Kymissis、Michael Steigerwald、Colin Nuckolls

  DOI：10.1002/anie.201004055

  日期：2010.10.18

  An organic semiconductor device is formed by the self‐assembly on a transparent electrode surface. The donor (see picture; dibenzotetrathienocoronene, yellow layer) deposits as supramolecular cables, and the acceptor (C60, orange) subsequently infiltrates this network. This network provides a donor–acceptor interface that is interwoven at the nanoscale. When incorporated into a solar cell, the active

  通过自组装在透明电极表面上形成有机半导体器件。供体（参见图片；二苯并四硫杂萘并，黄色层）以超分子电缆的形式沉积，随后受体（C 60，橙色）渗入该网络。该网络提供了在纳米级交织的供体-受体界面。当结合到太阳能电池中时，有源层大大提高了功率转换效率。