[4-[(E)-2-[15,24-bis[(E)-2-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]ethenyl]-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-6-yl]ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane | 1253392-75-4

• 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: [4-[(E)-2-[15,24-bis[(E)-2-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]ethenyl]-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-6-yl]ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
• CAS: 1253392-75-4
• 化学式: C₁₀₈H₁₀₈B₃N₃
• 分子量: 1480.5
• InChiKey: KMHMFEIABMVIEC-WUOFIQDXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.68
• 重原子数：
  114
• 可旋转键数：
  18
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  14.8
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  dimesityl(4-vinylphenyl)borane 、 2,7,12-tribromo-5,10,15-triethyltriindole 在 palladium diacetate 、 三乙胺 、 三(邻甲基苯基)磷 作用下， 反应 30.0h， 以41%的产率得到[4-[(E)-2-[15,24-bis[(E)-2-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]ethenyl]-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-6-yl]ethenyl]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

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).