[12,29-Bis(2-decyltetradecoxy)-16-trimethylstannyl-3,15-dithia-11,30-diazanonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triaconta-1,4,6,8,10(26),11,13,16,18,20,22,24,27,29-tetradecaen-4-yl]-trimethylstannane | 1616115-73-1

• 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: [12,29-Bis(2-decyltetradecoxy)-16-trimethylstannyl-3,15-dithia-11,30-diazanonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triaconta-1,4,6,8,10(26),11,13,16,18,20,22,24,27,29-tetradecaen-4-yl]-trimethylstannane
• CAS: 1616115-73-1
• 化学式: C₈₀H₁₂₂N₂O₂S₂Sn₂
• 分子量: 1445.41
• InChiKey: SIAHMSNMQMOZPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.9
• 重原子数：
  88
• 可旋转键数：
  48
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,5-二氨基蒽醌 在 吡啶 、 正丁基锂 、 18-冠醚-6 、 potassium tert-butylate 、 碘 、 potassium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 61.5h， 生成 [12,29-Bis(2-decyltetradecoxy)-16-trimethylstannyl-3,15-dithia-11,30-diazanonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triaconta-1,4,6,8,10(26),11,13,16,18,20,22,24,27,29-tetradecaen-4-yl]-trimethylstannane
  参考文献：
  名称：

  Thiophene Fused Azacoronenes: Regioselective Synthesis, Self-Organization, Charge Transport and Its Incorporation in Conjugated Polymers

  摘要：

  A regioselective synthesis of an azacoronene fused with two peripheral thiophene groups has been realized through a concise synthetic route. The resulting thienoazacoronene (TAC) derivatives show high degree of self-organization in solution, in single crystals, in the bulk, and in spuncast thin films. Spuncast thin film field-effect transistors of the TACs exhibited mobilities up to 0.028 cm(2) V-1 S-1, which is among the top field effect mobilities for solution processed discotic materials. Organic photovoltaic devices using TAC-containing conjugated polymers as the donor material exhibited a high open-circuit voltage of 0.89 V, which was ascribable to TAC's low-lying highest occupied molecular orbital energy level.

  DOI：

  10.1021/cm5018272