5,6-dioctyloxy-naphtho[2,1-b:3,4-b']dithiophene | 399559-84-3

• 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: 5,6-dioctyloxy-naphtho[2,1-b:3,4-b']dithiophene
• 英文别名: 14,15-Dioctoxy-5,8-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene
• CAS: 399559-84-3
• 化学式: C₃₀H₄₀O₂S₂
• 分子量: 496.778
• InChiKey: KCWIBIXOLGYTFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  34
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  74.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,6-dioctyloxy-naphtho[2,1-b:3,4-b']dithiophene 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 三氯氧磷 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成
  参考文献：
  名称：

  Embedding an electron donor or acceptor into naphtho[2,1-b:3,4-b′]dithiophene based organic sensitizers for dye-sensitized solar cells

  摘要：

  电子供体和受体分别嵌入萘并[2,1-b:3,4-b-]二噻吩基有机敏化剂中以调节其光电特性。基于包含辅助电子受体的FNE52的DSSC表现出最大8.2%的功率转换效率和良好的长期稳定性。

  DOI：

  10.1039/c3cc44258f

文献信息

• 2D Assembly of Metallacycles on HOPG by Shape-Persistent Macrocycle Templates
  作者：Ting Chen、Ge-Bo Pan、Henning Wettach、Martin Fritzsche、Sigurd Höger、Li-Jun Wan、Hai-Bo Yang、Brian H. Northrop、Peter J. Stang

  DOI：10.1021/ja907220f

  日期：2010.2.3

  The synthesis and scanning tunneling microscopy (STM) investigations of shape-persistent arylene-ethynylene-butadiynylene macrocycles along with their codeposites with metallacycles are reported. 2D ordered arrays of macrocycles and macrocycle/metallacycle architectures (1:1) have been obtained on HOPG by self-assembly under ambient conditions. It is found that the ordered macrocycle array acts as a template for the deposition of the adlayer molecules. For each underlying macrocycle, one metallacycle has been detected. The unit-cell data of both, the macrocycles; and their codeposites, show that the structural information of the macrocycle layer is perfectly transformed to the guest molecules. A rather unexpected observation is that the present compound could not be coadsorbed with C-60, indicating that only a minor change in the structure of the macrocycle has a dramatic effect on the ability of the monolayer to bind additional guest molecules.