33,34,41,42-Tetrabromo-11,18,30,37-tetrakis(2-octyldodecyl)-3,7,11,18,22,26,30,37-octazaundecacyclo[26.10.2.213,16.02,27.04,25.06,23.08,21.09,14.015,20.032,40.035,39]dotetraconta-1(39),2,4(25),5,8,13(42),14,16(41),20,23,26,28(40),32,34-tetradecaene-10,12,17,19,29,31,36,38-octone | 1517464-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 33,34,41,42-Tetrabromo-11,18,30,37-tetrakis(2-octyldodecyl)-3,7,11,18,22,26,30,37-octazaundecacyclo[26.10.2.213,16.02,27.04,25.06,23.08,21.09,14.015,20.032,40.035,39]dotetraconta-1(39),2,4(25),5,8,13(42),14,16(41),20,23,26,28(40),32,34-tetradecaene-10,12,17,19,29,31,36,38-octone
• CAS: 1517464-97-9
• 化学式: C₁₁₄H₁₆₈Br₄N₈O₈
• 分子量: 2098.25
• InChiKey: ROSCUFKNZRBESQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  43.4
• 重原子数：
  134
• 可旋转键数：
  72
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  199
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  33,34,41,42-Tetrabromo-11,18,30,37-tetrakis(2-octyldodecyl)-3,7,11,18,22,26,30,37-octazaundecacyclo[26.10.2.213,16.02,27.04,25.06,23.08,21.09,14.015,20.032,40.035,39]dotetraconta-1,4,6(23),8,13(42),14,16(41),20,24,27,32,34,39-tridecaene-10,12,17,19,29,31,36,38-octone 在 lead dioxide 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 1.0h， 以80%的产率得到33,34,41,42-Tetrabromo-11,18,30,37-tetrakis(2-octyldodecyl)-3,7,11,18,22,26,30,37-octazaundecacyclo[26.10.2.213,16.02,27.04,25.06,23.08,21.09,14.015,20.032,40.035,39]dotetraconta-1(39),2,4(25),5,8,13(42),14,16(41),20,23,26,28(40),32,34-tetradecaene-10,12,17,19,29,31,36,38-octone
  参考文献：
  名称：

  NIR J-Aggregates of Hydroazaheptacene Tetraimides

  摘要：

  Hydroazaacene dicarboximide derivatives with red to NIR absorptions are designed and synthesized, which exhibit well-defined J-aggregation behaviors in both solution and thin films. The absorption and emission of an aggregate extend well into the NIR regime (lambda(max) = 902 nm), manifesting particularly narrow bandwidth (fwhm = 152 cm(-1)) and is nearly transparent in the visible region.

  DOI：

  10.1021/ja410265n