5,10,15-triethyl-3,8,13-triethynyl-10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole | 1253392-72-1

• 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: 5,10,15-triethyl-3,8,13-triethynyl-10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole
• CAS: 1253392-72-1
• 化学式: C₃₆H₂₇N₃
• 分子量: 501.63
• InChiKey: FPVMVZPSUHGXJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.01
• 重原子数：
  39.0
• 可旋转键数：
  3.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  14.79
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (4-iodophenyl)dimesitylborane 、 5,10,15-triethyl-3,8,13-triethynyl-10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 反应 16.0h， 以50%的产率得到[4-[2-[14,23-Bis[2-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]ethynyl]-9,18,27-triethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaen-5-yl]ethynyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
  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：

  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64%的产率得到5,10,15-triethyl-3,8,13-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