N,N-diphenyl-4-[(E)-2-[9,18,27-triethyl-14,23-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-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]ethenyl]aniline | 1253392-78-7

• 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: N,N-diphenyl-4-[(E)-2-[9,18,27-triethyl-14,23-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-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]ethenyl]aniline
• CAS: 1253392-78-7
• 化学式: C₉₀H₇₂N₆
• 分子量: 1237.6
• InChiKey: MWJOZGHTMAQSDO-FHJKABMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.6
• 重原子数：
  96
• 可旋转键数：
  18
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  24.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,8,13-tribromo-5,10,15-triethyl-triazatruxene 、 N,N-二苯基-4-乙烯基苯胺 在 四乙基溴化铵 、 palladium diacetate 、 potassium carbonate 、 三(邻甲基苯基)磷 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 48.0h， 以63%的产率得到N,N-diphenyl-4-[(E)-2-[9,18,27-triethyl-14,23-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-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]ethenyl]aniline
  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

文献信息

• Switching High Two-Photon Efficiency: From 3,8,13-Substituted Triindole Derivatives to Their 2,7,12-Isomers
  作者：Lei Ji、Qi Fang、Mao-sen Yuan、Zhi-qiang Liu、Yu-xiang Shen、Hong-feng Chen

  DOI：10.1021/ol102057t

  日期：2010.11.19

  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).