2-(acetylene)-5,8,11,14,17-penta(3,7-dimethyloctanyl)-hexa-peri-hexabenzocoronene | 848851-63-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2-(acetylene)-5,8,11,14,17-penta(3,7-dimethyloctanyl)-hexa-peri-hexabenzocoronene
• 英文别名: 2-ethynyl-5,8,11,14,17-penta(3',7'-dimethyloctyl)-hexa-peri-hexabenzocoronene；6,11,20,25,34-Pentakis(3,7-dimethyloctyl)-39-ethynyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(30),2(15),3(8),4,6,9,11,13,16,18,20,22,24,26,28,31,33,35,37(42),38,40-henicosaene；6,11,20,25,34-pentakis(3,7-dimethyloctyl)-39-ethynyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(30),2(15),3(8),4,6,9,11,13,16,18,20,22,24,26,28,31,33,35,37(42),38,40-henicosaene
• CAS: 848851-63-8
• 化学式: C₉₄H₁₁₈
• 分子量: 1247.97
• InChiKey: WYSUFQBIVJXJOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  35.8
• 重原子数：
  94
• 可旋转键数：
  36
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2-(acetylene)-5,8,11,14,17-penta(3,7-dimethyloctanyl)-hexa-peri-hexabenzocoronene 、 thioacetic acid S-(4-iodobenzyl) ester 在 tris-(dibenzylideneacetone)dipalladium(0) 、 copper(l) iodide 、 N,N-二异丙基乙胺 、 三(邻甲基苯基)磷 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以41%的产率得到2-[2'-[4''-(S-acetylthiomethyl)phenyl]ethyn-1-yl]-5,8,14,17-penta-(3',7'-dimethyloctyl)hexa-peri-hexabenzocoronene
  参考文献：
  名称：

  Piot, Luc; Marie, Camille; Dou, Xi, Journal of the American Chemical Society, 2009, vol. 131, p. 1378 - 1379

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(trimethylsilylacetylene)-5,8,11,14,17-penta(3,7-dimethyloctanyl)-hexa-peri-hexabenzocoronene 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以88.9%的产率得到2-(acetylene)-5,8,11,14,17-penta(3,7-dimethyloctanyl)-hexa-peri-hexabenzocoronene
  参考文献：
  名称：

  Hexa-peri-hexabenzocoronene/perylenedicarboxymonoimide and diimide dyads as models to study intramolecular energy transfer

  摘要：

  Star-like and butterfly-shaped dyads based on hexa-peri-hexabenzocoronene (HBC) as donor and perylenedicarboxymoniimide (PMI) or diimide (PDI) as acceptor were synthesized by Sonogashira coupling reactions and Diels-Alder cycloadditions. Intramolecular energy and electron transfer were investigated by steady-state fluorescence spectroscopy. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.12.094

文献信息

• Hexa-peri-hexabenzocoronene/perylenedicarboxymonoimide and diimide dyads as models to study intramolecular energy transfer
  作者：Jishan Wu、Jianqiang Qu、Natalia Tchebotareva、Klaus Müllen

  DOI：10.1016/j.tetlet.2004.12.094

  日期：2005.2

  Star-like and butterfly-shaped dyads based on hexa-peri-hexabenzocoronene (HBC) as donor and perylenedicarboxymoniimide (PMI) or diimide (PDI) as acceptor were synthesized by Sonogashira coupling reactions and Diels-Alder cycloadditions. Intramolecular energy and electron transfer were investigated by steady-state fluorescence spectroscopy. (C) 2004 Elsevier Ltd. All rights reserved.
• Piot, Luc; Marie, Camille; Dou, Xi, Journal of the American Chemical Society, 2009, vol. 131, p. 1378 - 1379
  作者：Piot, Luc、Marie, Camille、Dou, Xi、Feng, Xinliang、Mullen, Klaus、Fichou, Denis

  DOI：——

  日期：——