7,16-tetra(5'-dodecylthieno)[a,c,p,r]heptacenequinone | 1375454-84-4

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 7,16-tetra(5'-dodecylthieno)[a,c,p,r]heptacenequinone
• 英文别名: 10,15,31,36-Tetradodecyl-9,16,30,37-tetrathiaundecacyclo[22.18.0.03,22.05,20.07,18.08,12.013,17.026,41.028,39.029,33.034,38]dotetraconta-1(42),3,5,7(18),8(12),10,13(17),14,19,21,24,26,28(39),29(33),31,34(38),35,40-octadecaene-2,23-dione
• CAS: 1375454-84-4
• 化学式: C₈₆H₁₁₂O₂S₄
• 分子量: 1306.1
• InChiKey: KLTFOCBMHSUFKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  36.2
• 重原子数：
  92
• 可旋转键数：
  44
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  147
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7,16-tetra(5'-dodecylthieno)[a,c,p,r]heptacenequinone 、 丙二腈 在 吡啶 、 四氯化钛 作用下， 以 氯苯 为溶剂， 以70%的产率得到19,19,20,20-tetracyano-7,16-tetra(5'-dodecylthieno)[a,c,p,r]heptacenequinodimethane
  参考文献：
  名称：

  Incorporating TCNQ into Thiophene-Fused Heptacene for n-Channel Field Effect Transistor

  摘要：

  Incorporation of electron-deficient tetracyanoquinodimethane (TCNQ) into electron-rich thiophene-fused heptacene was successfully achieved for the purpose of stabilizing longer acenes and generating new n-type organic semiconductors. The heptacene-TCNQ derivative 1 was found to have good stability and an expected electron transporting property. Electron mobility up to 0.01 cm(2) V-1 s(-1) been obtained for this novel material In solution processed organic field effect transistors.

  DOI：

  10.1021/ol301014d
• 作为产物：
  描述：

  2,3,9,10-tetra(5'-dodecylthienyl)-6,13-pentacenequinone 在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 7,16-tetra(5'-dodecylthieno)[a,c,p,r]heptacenequinone
  参考文献：
  名称：

  Incorporating TCNQ into Thiophene-Fused Heptacene for n-Channel Field Effect Transistor

  摘要：

  Incorporation of electron-deficient tetracyanoquinodimethane (TCNQ) into electron-rich thiophene-fused heptacene was successfully achieved for the purpose of stabilizing longer acenes and generating new n-type organic semiconductors. The heptacene-TCNQ derivative 1 was found to have good stability and an expected electron transporting property. Electron mobility up to 0.01 cm(2) V-1 s(-1) been obtained for this novel material In solution processed organic field effect transistors.

  DOI：

  10.1021/ol301014d