Trimethyl-[2-[9,18,27-triethyl-15,24-bis(2-trimethylsilylethynyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaen-6-yl]ethynyl]silane | 1253392-71-0

• 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: Trimethyl-[2-[9,18,27-triethyl-15,24-bis(2-trimethylsilylethynyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaen-6-yl]ethynyl]silane
• CAS: 1253392-71-0
• 化学式: C₄₅H₅₁N₃Si₃
• 分子量: 718.177
• InChiKey: UPUIDNHMXOVXFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.76
• 重原子数：
  51
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  14.8
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Trimethyl-[2-[9,18,27-triethyl-15,24-bis(2-trimethylsilylethynyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaen-6-yl]ethynyl]silane 在 水 、 potassium hydroxide 、 氯化铵 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 5.0h， 以67%的产率得到5,10,15-triethyl-2,7,12-triethynyl-10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole
  参考文献：
  名称：

  Switching High Two-Photon Efficiency: From 3,8,13-Substituted Triindole Derivatives to Their 2,7,12-Isomers

  摘要：

  Bridging the triindole core and triarylboryl acceptor by an ethenylene linker at the 3,8,13- or 2,7,12-position, the resultant 3-BET and 2-BET show two-photon absorption (TPA) cross sections of delta = 2100 and 2500 GM (at 810 nm by femtosecond pulses in THF), respectively. The TPA enhancement of the 2,7,12-isomers is also found when comparing 3-BYT and 2-BYT (delta = 870 and 1900 GM) and 3-NET and 2-NET (36 and 400 GM).

  DOI：

  10.1021/ol102057t
• 作为产物：
  描述：

  2,7,12-tribromo-5,10,15-triethyltriindole 、 三甲基乙炔基硅 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 copper(l) iodide 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 55.0h， 以80%的产率得到Trimethyl-[2-[9,18,27-triethyl-15,24-bis(2-trimethylsilylethynyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaen-6-yl]ethynyl]silane
  参考文献：
  名称：

  Switching High Two-Photon Efficiency: From 3,8,13-Substituted Triindole Derivatives to Their 2,7,12-Isomers

  摘要：

  Bridging the triindole core and triarylboryl acceptor by an ethenylene linker at the 3,8,13- or 2,7,12-position, the resultant 3-BET and 2-BET show two-photon absorption (TPA) cross sections of delta = 2100 and 2500 GM (at 810 nm by femtosecond pulses in THF), respectively. The TPA enhancement of the 2,7,12-isomers is also found when comparing 3-BYT and 2-BYT (delta = 870 and 1900 GM) and 3-NET and 2-NET (36 and 400 GM).

  DOI：

  10.1021/ol102057t