N,N-bis[6-(dimethylamino)hexyl]-3,4,9,10-perylenetetracarboxylic diimide | 1613576-48-9

• 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: N,N-bis[6-(dimethylamino)hexyl]-3,4,9,10-perylenetetracarboxylic diimide
• 英文别名: 7,18-Bis[6-(dimethylamino)hexyl]-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: 1613576-48-9
• 化学式: C₄₀H₄₄N₄O₄
• 分子量: 644.814
• InChiKey: IHHUUBCQVIVIBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  48
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  反应 16.0h， 生成 N,N-bis[6-(dimethylamino)hexyl]-3,4,9,10-perylenetetracarboxylic diimide
  参考文献：
  名称：

  束缚叔胺作为可溶液加工有机半导体的固态n型掺杂剂

  摘要：

  叔胺通过烷基间隔基与缺电子芳香族分子共价连接，从而实现固态 n 掺杂。

  DOI：

  10.1039/c5sc04217h

文献信息

• Efficient Host–Guest Energy Transfer in Polycationic Cyclophane–Perylene Diimide Complexes in Water
  作者：Seán T. J. Ryan、Jesús Del Barrio、Indrajit Ghosh、Frank Biedermann、Alexandra I. Lazar、Yang Lan、Roger J. Coulston、Werner M. Nau、Oren A. Scherman

  DOI：10.1021/ja5032437

  日期：2014.6.25

  We report the self-assembly of a series of highly charged supramolecular complexes in aqueous media composed of cyclobis(4,4'-(1,4-phenylene)bispyridine-p-phenylene)tetrakis(chloride) (ExBox) and three dicationic perylene diimides (PDIs). Efficient energy transfer (ET) is observed between the host and guests. Additionally, we show that our hexacationic complexes are capable of further complexation with neutral cucurbit[7]uril (CB[7]), producing a 3-polypseudorotaxane via the self-assembly of orthogonal recognition moieties. ExBox serves as the central ring, complexing to the PDI core, while two CB[7]s behave as supramolecular stoppers, binding to the two outer quaternary ammonium motifs. The formation of the 3-polypseudorotaxane results in far superior photophysical properties of the central PDI unit relative to the binary complexes at stoichiometric ratios. Lastly, we also demonstrate the ability of our binary complexes to act as a highly selective chemosensing ensemble for the neurotransmitter melatonin.