N²,N³-bis(1-hexylheptyl)-benzo[ghi]perylene-2,3,8,9,11,12-hexacarboxylic-2,3:8,9:11,12-tris(dicarboximide) | 265312-37-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N²,N³-bis(1-hexylheptyl)-benzo[ghi]perylene-2,3,8,9,11,12-hexacarboxylic-2,3:8,9:11,12-tris(dicarboximide)
• 英文别名: 18-Hydroxy-10,24-di(tridecan-7-yl)-10,17,24-triazanonacyclo[20.7.1.14,8.02,20.03,14.05,29.015,19.026,30.012,31]hentriaconta-1,3,5(29),6,8(31),12,14,17,19,21,26(30),27-dodecaene-9,11,16,23,25-pentone；18-hydroxy-10,24-di(tridecan-7-yl)-10,17,24-triazanonacyclo[20.7.1.14,8.02,20.03,14.05,29.015,19.026,30.012,31]hentriaconta-1,3,5(29),6,8(31),12,14,17,19,21,26(30),27-dodecaene-9,11,16,23,25-pentone
• CAS: 265312-37-6
• 化学式: C₅₄H₆₁N₃O₆
• 分子量: 848.095
• InChiKey: ZGWBXEGSBDMLDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.3
• 重原子数：
  63
• 可旋转键数：
  22
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N²,N³-bis(1-hexylheptyl)-benzo[ghi]perylene-2,3,8,9,11,12-hexacarboxylic-2,3:8,9:11,12-tris(dicarboximide) 、 二溴甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以15.3%的产率得到17-[[9,11,16,18,23,25-Hexaoxo-10,24-di(tridecan-7-yl)-10,17,24-triazanonacyclo[20.7.1.14,8.02,20.03,14.05,29.015,19.026,30.012,31]hentriaconta-1,3,5(29),6,8(31),12,14,19,21,26(30),27-undecaen-17-yl]methyl]-10,24-di(tridecan-7-yl)-10,17,24-triazanonacyclo[20.7.1.14,8.02,20.03,14.05,29.015,19.026,30.012,31]hentriaconta-1,3,5(29),6,8(31),12,14,19,21,26(30),27-undecaene-9,11,16,18,23,25-hexone
  参考文献：
  名称：

  Intramolecular Effects in Covalently Connected Units − Ring-Type Oriented Chromophores and their Interactions

  摘要：

  The light harvesting unit B800 of the bacteria system LH2 has been simulated by the ring-type arrangement of up to six benzoperylene trisimide chromophores. Exciton coupling has been found in this arrangement.

  DOI：

  10.1002/1099-0690(200107)2001:13<2481::aid-ejoc2481>3.0.co;2-e
• 作为产物：
  描述：

  N,N'-bis(1-hexylheptyl)benzo[ghi]perylene-2,3,8,9,11,12-hexacarboxylic-2,3:8,9-bis(dicarboximide)-11,12-anhydride 在 咪唑 、 氨基磺酸 作用下， 反应 4.0h， 以84%的产率得到N²,N³-bis(1-hexylheptyl)-benzo[ghi]perylene-2,3,8,9,11,12-hexacarboxylic-2,3:8,9:11,12-tris(dicarboximide)
  参考文献：
  名称：

  Intramolecular Effects in Covalently Connected Units − Ring-Type Oriented Chromophores and their Interactions

  摘要：

  The light harvesting unit B800 of the bacteria system LH2 has been simulated by the ring-type arrangement of up to six benzoperylene trisimide chromophores. Exciton coupling has been found in this arrangement.

  DOI：

  10.1002/1099-0690(200107)2001:13<2481::aid-ejoc2481>3.0.co;2-e

文献信息

• A new and versatile fluorescence standard for quantum yield determination
  作者：Stanislav Kalinin、Marcus Speckbacher、Heinz Langhals、Lennart B.-Å. Johansson

  DOI：10.1039/b007671f

  日期：——

  It is demonstrated that a new bichromophoric compound, N-2,N-3-[bis(1-hexylheptyl)-benzo[ghi]perylene-2,3,8,9,11,12-hexacarboxylic-2,3:8,9:11,12-tris(dicarboximide)]-N-1,N-1'-(1,2-ethyl)-[N-2'-(1-o ...

  证明了一种新的双发色化合物 N-2,N-3-[双(1-己基庚基)-苯并[ghi]苝-2,3,8,9,11,12-hexacarboxy-2,3:8 ,9:11,12-三(二甲酰亚胺)]-N-1,N-1'-(1,2-乙基)-[N-2'-(1-o ...
• Use of fluorescent polymers for the treatment of human hair
  申请人：Wella Aktiengesellschaft

  公开号：EP1671674B1

  公开（公告）日：2007-10-17
• Intramolecular Effects in Covalently Connected Units − Ring-Type Oriented Chromophores and their Interactions
  作者：Heinz Langhals、Markus Speckbacher

  DOI：10.1002/1099-0690(200107)2001:13<2481::aid-ejoc2481>3.0.co;2-e

  日期：2001.7

  The light harvesting unit B800 of the bacteria system LH2 has been simulated by the ring-type arrangement of up to six benzoperylene trisimide chromophores. Exciton coupling has been found in this arrangement.