Octabutyl 28,28-dioctylpentadecacyclo[27.24.0.02,27.04,25.05,14.08,13.012,17.015,24.016,21.031,52.032,41.035,40.039,44.042,51.043,48]tripentaconta-1(29),2(27),3,5(14),6,8,10,12,15(24),16,18,20,22,25,30,32(41),33,35,37,39,42(51),43,45,47,49,52-hexacosaene-7,9,20,22,34,36,47,49-octacarboxylate | 1224849-60-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: Octabutyl 28,28-dioctylpentadecacyclo[27.24.0.02,27.04,25.05,14.08,13.012,17.015,24.016,21.031,52.032,41.035,40.039,44.042,51.043,48]tripentaconta-1(29),2(27),3,5(14),6,8,10,12,15(24),16,18,20,22,25,30,32(41),33,35,37,39,42(51),43,45,47,49,52-hexacosaene-7,9,20,22,34,36,47,49-octacarboxylate
• 英文别名: octabutyl 28,28-dioctylpentadecacyclo[27.24.0.02,27.04,25.05,14.08,13.012,17.015,24.016,21.031,52.032,41.035,40.039,44.042,51.043,48]tripentaconta-1(29),2(27),3,5(14),6,8,10,12,15(24),16,18,20,22,25,30,32(41),33,35,37,39,42(51),43,45,47,49,52-hexacosaene-7,9,20,22,34,36,47,49-octacarboxylate
• CAS: 1224849-60-8
• 化学式: C₁₀₉H₁₂₂O₁₆
• 分子量: 1688.16
• InChiKey: HPCAZIBPEWFQTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  33.3
• 重原子数：
  125
• 可旋转键数：
  54
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  210
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  Tetrabutyl 1-[9,9-dioctyl-7-[3,4,9,10-tetrakis(butoxycarbonyl)perylen-1-yl]fluoren-2-yl]perylene-3,4,9,10-tetracarboxylate 在 碘 、 氧气 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以65%的产率得到Octabutyl 28,28-dioctylpentadecacyclo[27.24.0.02,27.04,25.05,14.08,13.012,17.015,24.016,21.031,52.032,41.035,40.039,44.042,51.043,48]tripentaconta-1(29),2(27),3,5(14),6,8,10,12,15(24),16,18,20,22,25,30,32(41),33,35,37,39,42(51),43,45,47,49,52-hexacosaene-7,9,20,22,34,36,47,49-octacarboxylate
  参考文献：
  名称：

  sim双酰亚胺的平面共轭梯形低聚物的设计概念和通过区域选择性光环化的有效合成策略。

  摘要：

  通过光环化，将苯，噻吩并[3,2-b]噻吩和芴单元嵌入两个per单元之间。对称的低聚per双酰亚胺6具有广泛的吸收能力和较强的电子接受能力。

  DOI：

  10.1039/b925605a

文献信息

• A design concept of planar conjugated ladder oligomers of perylene bisimides and efficient synthetic strategy via regioselective photocyclization
  作者：Zhongyi Yuan、Yi Xiao、Xuhong Qian

  DOI：10.1039/b925605a

  日期：——

  By photocyclization, benzene, thieno[3,2-b]thiophene, and fluorene units were embedded between the two perylene units. Symmetric oligomeric perylene bisimide 6 displays broad absorption and strong electron-accepting ability.

  通过光环化，将苯，噻吩并[3,2-b]噻吩和芴单元嵌入两个per单元之间。对称的低聚per双酰亚胺6具有广泛的吸收能力和较强的电子接受能力。