TIPS-BT | 1608502-72-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: TIPS-BT
• 英文别名: Tri(propan-2-yl)-[2-[27-[2-tri(propan-2-yl)silylethynyl]-12-octacyclo[14.14.2.02,11.04,9.013,31.017,26.019,24.028,32]dotriaconta-1(31),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27,29-hexadecaenyl]ethynyl]silane
• CAS: 1608502-72-2
• 化学式: C₅₄H₅₈Si₂
• 分子量: 763.226
• InChiKey: XTKUXJZCHBCJGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.34
• 重原子数：
  56
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  3-[5-(3-Carboxynaphthalen-2-yl)naphthalen-1-yl]naphthalene-2-carboxylic acid 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 9.0h， 生成 TIPS-BT
  参考文献：
  名称：

  Bistetracene: An Air-Stable, High-Mobility Organic Semiconductor with Extended Conjugation

  摘要：

  We report the synthesis and characterization of "bistetracene", an unconventional, linearly extended conjugated core with eight fused rings. The annellation mode of the system allows for increased stability of the conjugated system relative to linear analogues due to the increased number of Clar aromatic sextets. By attaching the appropriate solubilizing substituents, efficient molecular packing with large transfer integrals can be obtained. The electronic structure calculations suggest these large polycyclic aromatic hydrocarbons (PAHs) exhibit excellent intrinsic charge transport properties. Charge carrier mobilities as large as 6.1 cm(2) V-1 s(-1) and current on/off ratios of 10(7) were determined experimentally for one of our compounds. Our study provides valuable insight into the design of unconventional semiconductor compounds based on higher PAHs for use in high-performance devices.

  DOI：

  10.1021/ja503643s