7,18-Bis[10-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxydecyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone | 1260541-51-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 7,18-Bis[10-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxydecyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• 英文别名: 7,18-bis[10-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxydecyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• CAS: 1260541-51-2
• 化学式: C₁₄₀H₁₉₀N₂O₁₆
• 分子量: 2157.05
• InChiKey: XIWDWRLWKALHAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  44.8
• 重原子数：
  158
• 可旋转键数：
  84
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  186
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  2-(10'-aminodecyloxy)-3,6,7,10,11-penta(hexyloxy)triphenylene 、 3,4,9,10-苝四羧酸二酐 在 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 以70%的产率得到7,18-Bis[10-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxydecyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  A Mesogenic Triphenylene−Perylene−Triphenylene Triad

  摘要：

  A straightforward synthesis of triphenylene-perylene-triphenylene triad structures has been achieved by using versatile triphenylene intermediates bearing a single oxyalkyl amine side chain. Among these, PBITP10 showed a stable columnar mesophase implying favorably matched core-core separations in the structure. Importantly, the triad can be used as a vehicle for doping columnar triphenylene matrices with functional but incompatible perylene units and a mixture of hexahexyloxytriphenylene matrix doped with 0.1% PBITP10 is homogeneous and liquid crystalline.

  DOI：

  10.1021/ol103018v