2-[5-[5-[5-(5-Bromo-3-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[5-[5-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophene | 934832-49-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 2-[5-[5-[5-(5-Bromo-3-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[5-[5-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophene
• CAS: 934832-49-2
• 化学式: C₉₆H₁₂₀Br₂S₁₂
• 分子量: 1818.61
• InChiKey: SXCIQHOKGKVEHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  42.5
• 重原子数：
  110
• 可旋转键数：
  51
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  339
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  、 2-[5-[5-[5-(5-Bromo-3-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[5-[5-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophene 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以39%的产率得到2-[4-Hexyl-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-hexyl-5-[4-hexyl-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-hexyl-5-[4-hexyl-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-hexyl-5-[4-hexyl-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-hexyl-5-(2-trimethylsilylethynyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane
  参考文献：
  名称：

  Synthesis of 10-nm Scale Oligothiophene Molecular Wires Bearing Anchor Units at Both Terminal Positions

  摘要：

  [GRAPHIC]Oligothiophenes with the length of ca.10 nm bearing anchor units (a protected thiol group or trimethylsilylethynyl) at both terminal positions in the conjugated backbone have been synthesized by the block-coupling synthetic strategy. Their electronic properties were clarified by spectroscopic and electrochemical measurements.

  DOI：

  10.1021/jo062204p
• 作为产物：
  描述：

  2-[5-[5-[5-(5-Bromo-3-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(3-hexylthiophen-2-yl)thiophene 在 iron(III) perchlorate 、 一水合肼 作用下， 以 二氯甲烷 、 乙腈 、 水 为溶剂， 以59%的产率得到2-[5-[5-[5-(5-Bromo-3-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[5-[5-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophene
  参考文献：
  名称：

  Synthesis of 10-nm Scale Oligothiophene Molecular Wires Bearing Anchor Units at Both Terminal Positions

  摘要：

  [GRAPHIC]Oligothiophenes with the length of ca.10 nm bearing anchor units (a protected thiol group or trimethylsilylethynyl) at both terminal positions in the conjugated backbone have been synthesized by the block-coupling synthetic strategy. Their electronic properties were clarified by spectroscopic and electrochemical measurements.

  DOI：

  10.1021/jo062204p