2-[7,17-Difluoro-12-[2-tri(propan-2-yl)silylethynyl]-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl-tri(propan-2-yl)silane | 1015071-20-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2-[7,17-Difluoro-12-[2-tri(propan-2-yl)silylethynyl]-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl-tri(propan-2-yl)silane
• 英文别名: 2-[7,17-difluoro-12-[2-tri(propan-2-yl)silylethynyl]-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl-tri(propan-2-yl)silane
• CAS: 1015071-20-1
• 化学式: C₄₀H₄₈F₂S₂Si₂
• 分子量: 687.121
• InChiKey: NTVCPQGHCCICNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.84
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-氟噻吩-2,3-二甲醛 、 三异丙基硅基乙炔 、 1,4-环己二酮 生成 2-[7,17-Difluoro-2-[2-tri(propan-2-yl)silylethynyl]-6,18-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,16,19-nonaen-12-yl]ethynyl-tri(propan-2-yl)silane 、 2-[7,17-Difluoro-12-[2-tri(propan-2-yl)silylethynyl]-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl-tri(propan-2-yl)silane
  参考文献：
  名称：

  Chromophore Fluorination Enhances Crystallization and Stability of Soluble Anthradithiophene Semiconductors

  摘要：

  We report dramatic improvements in the stability and crystallinity arising from partial fluorination of soluble anthradithiophene derivatives. These fluorinated materials still behave as p-type semiconductors but with dramatic increases in thermal and photostability compared to the non-fluorinated derivatives. The triethylsilyl-substituted material forms highly crystalline films even from spincast solutions, leading to devices with maximum hole mobility greater than 1.0 cm(2)N s. In contrast, the triisopropylsilyl derivative forms large, high-quality crystals that could serve as the substrate for transistor fabrication. For this compound, mobility as high as 0.1 cm(2)N S Was measured on the freestanding crystal.

  DOI：

  10.1021/ja073235k