11-[5-[5-[5-[7,18-Bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-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-decaen-11-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7,18-bis[2,6-di(propan-2-yl)phenyl]-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 | 1628566-47-1

• 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: 11-[5-[5-[5-[7,18-Bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-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-decaen-11-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7,18-bis[2,6-di(propan-2-yl)phenyl]-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: 11-[5-[5-[5-[7,18-bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-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-decaen-11-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7,18-bis[2,6-di(propan-2-yl)phenyl]-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: 1628566-47-1
• 化学式: C₁₀₈H₈₈N₄O₈S₃
• 分子量: 1666.11
• InChiKey: HQMJZFPMTJGJFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.1
• 重原子数：
  123
• 可旋转键数：
  16
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  207
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  N,N'-bis(2,6-diisopropylphenyl)-1-bromoperylene-3,4,9,10-tetracarboxydiimide 、 5,5''-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2':5',2''-terthiophene 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到11-[5-[5-[5-[7,18-Bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-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-decaen-11-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7,18-bis[2,6-di(propan-2-yl)phenyl]-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：

  用于在分子聚集水平上调节光学特性的可控超分子结构

  摘要：

  在化学弱力和溶剂效应的关联驱动下，获得了噻吩取代的苝双酰亚胺的零到二维纳米结构，例如球体和块状结构。从三噻吩单元到固态苝双酰亚胺的光控分子内电荷转移可引起低色移和增强的荧光发射。

  DOI：

  10.1002/ejoc.201402460

文献信息

• Controllable Supramolecular Architectures for Modulating Optical Properties on the Molecular Aggregation Level
  作者：Runsheng Jiang、Zheng Xue、Yongjun Li、Zhihong Qin、Yuliang Li、Daoben Zhu

  DOI：10.1002/ejoc.201402460

  日期：2014.8

  Driven by the association of chemical weak forces and solvent effects, zero- to two-dimensional nanostructures of thiophene-substituted perylene bisimide such as spheres and blocky structures were obtained. Light-controlled intramolecular charge transfer from the trithiophene unit to the perylene bisimide in the solid state can induce a hypochromatic shift and enhanced fluorescent emission.

  在化学弱力和溶剂效应的关联驱动下，获得了噻吩取代的苝双酰亚胺的零到二维纳米结构，例如球体和块状结构。从三噻吩单元到固态苝双酰亚胺的光控分子内电荷转移可引起低色移和增强的荧光发射。