22-Butyl-14,32,43,60-tetra(pentan-3-yl)-14,22,32,43,60-pentazanonadecacyclo[56.3.1.18,12.126,30.145,49.04,9.05,62.06,56.07,18.019,55.021,53.023,52.025,50.027,48.028,37.029,34.038,47.041,46.016,65]pentahexaconta-1(62),2,4,6(56),7(18),8,10,12(65),16,19,21(53),23(52),24,26,28(37),29(34),30(64),35,38(47),39,41(46),45(63),48,50,54,57-hexacosaene-13,15,31,33,42,44,59,61-octone | 1338642-39-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 22-Butyl-14,32,43,60-tetra(pentan-3-yl)-14,22,32,43,60-pentazanonadecacyclo[56.3.1.18,12.126,30.145,49.04,9.05,62.06,56.07,18.019,55.021,53.023,52.025,50.027,48.028,37.029,34.038,47.041,46.016,65]pentahexaconta-1(62),2,4,6(56),7(18),8,10,12(65),16,19,21(53),23(52),24,26,28(37),29(34),30(64),35,38(47),39,41(46),45(63),48,50,54,57-hexacosaene-13,15,31,33,42,44,59,61-octone
• 英文别名: 22-butyl-14,32,43,60-tetra(pentan-3-yl)-14,22,32,43,60-pentazanonadecacyclo[56.3.1.18,12.126,30.145,49.04,9.05,62.06,56.07,18.019,55.021,53.023,52.025,50.027,48.028,37.029,34.038,47.041,46.016,65]pentahexaconta-1(62),2,4,6(56),7(18),8,10,12(65),16,19,21(53),23(52),24,26,28(37),29(34),30(64),35,38(47),39,41(46),45(63),48,50,54,57-hexacosaene-13,15,31,33,42,44,59,61-octone
• CAS: 1338642-39-9
• 化学式: C₈₄H₆₉N₅O₈
• 分子量: 1276.5
• InChiKey: DFERGDJHTZDDGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.3
• 重原子数：
  97
• 可旋转键数：
  15
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  154
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 碘 、 氧气 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以75%的产率得到22-Butyl-14,32,43,60-tetra(pentan-3-yl)-14,22,32,43,60-pentazanonadecacyclo[56.3.1.18,12.126,30.145,49.04,9.05,62.06,56.07,18.019,55.021,53.023,52.025,50.027,48.028,37.029,34.038,47.041,46.016,65]pentahexaconta-1(62),2,4,6(56),7(18),8,10,12(65),16,19,21(53),23(52),24,26,28(37),29(34),30(64),35,38(47),39,41(46),45(63),48,50,54,57-hexacosaene-13,15,31,33,42,44,59,61-octone
  参考文献：
  名称：

  熔融per二酰亚胺-咔唑：具有增强的三阶非线性光学活性的新型梯形生色团。

  摘要：

  通过在阳光下光环化有效地合成了一系列梯形生色团，这些生色团具有稠合的per二酰亚胺和咔唑的平面结构。与N，N'-双（3-戊基）per双酰亚胺（PBI-1）相比，它们显示出显着增强的非线性特性。

  DOI：

  10.1039/c1cc14071j

文献信息

• Fused perylenebisimide–carbazole: new ladder chromophores with enhanced third-order nonlinear optical activities
  作者：Yang Yang、Yaochuan Wang、Yuanpeng Xie、Tao Xiong、Zhongyi Yuan、Youdi Zhang、Shixiong Qian、Yi Xiao

  DOI：10.1039/c1cc14071j

  日期：——

  A series of ladder chromophores featuring planar structures of fused perylenebisimide and carbazole have been efficiently synthesized via photocyclization under sun light. Compared to N,N'-bis(3-pentyl) perylenebisimide (PBI-1), they show remarkably enhanced nonlinear properties.

  通过在阳光下光环化有效地合成了一系列梯形生色团，这些生色团具有稠合的per二酰亚胺和咔唑的平面结构。与N，N'-双（3-戊基）per双酰亚胺（PBI-1）相比，它们显示出显着增强的非线性特性。