3,23-Dimethyl-13-thia-3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene | 1190305-36-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3,23-Dimethyl-13-thia-3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene
• 英文别名: 3,23-dimethyl-13-thia-3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene
• CAS: 1190305-36-2
• 化学式: C₂₀H₁₄N₄S
• 分子量: 342.424
• InChiKey: XBGFBMYDNTWMTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  63.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  溴甲烷 、 12,13-dihydroindolo[2,3-a][1,2,5]thiadiazolo[3,4-c]carbazole 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 24.0h， 以72%的产率得到3,23-Dimethyl-13-thia-3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene
  参考文献：
  名称：

  Thiadiazole Fused Indolo[2,3-a]carbazole Based Oligomers and Polymer

  摘要：

  Indolo[2,3-a]carbazole-based heteroacenes containing thiadiazole units were synthesized. Compounds showed a sandwich herringbone packing in solid state with improved stability. The change in photophysical and electrochemical properties upon incorporation of an acceptor moiety (benzothiadazole) in a fused ring system was studied, The unsubstituted compound was electropolymerized to yield a stable polymer.

  DOI：

  10.1021/ol901806q

文献信息

• Thiadiazole Fused Indolo[2,3-<i>a</i>]carbazole Based Oligomers and Polymer
  作者：Ganapathy Balaji、Wong Low Shim、Manoj Parameswaran、Suresh Valiyaveettil

  DOI：10.1021/ol901806q

  日期：2009.10.1

  Indolo[2,3-a]carbazole-based heteroacenes containing thiadiazole units were synthesized. Compounds showed a sandwich herringbone packing in solid state with improved stability. The change in photophysical and electrochemical properties upon incorporation of an acceptor moiety (benzothiadazole) in a fused ring system was studied, The unsubstituted compound was electropolymerized to yield a stable polymer.