2,5-didodecylhexaperihexabenzocoronene | 1033016-53-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2,5-didodecylhexaperihexabenzocoronene
• 英文别名: 6,11-Didodecyltridecacyclo[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-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
• CAS: 1033016-53-3
• 化学式: C₆₆H₆₆
• 分子量: 859.25
• InChiKey: FSDQJFKQSIYIMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.4
• 重原子数：
  66
• 可旋转键数：
  22
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1,2-bis(4-dodecylphenyl)-3,4,5,6-tetraphenylbenzene 在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 1.5h， 以55%的产率得到2,5-didodecylhexaperihexabenzocoronene
  参考文献：
  名称：

  [EN] SYNTHETIC ALKYLATED GRAPHENES AND SOLUTIONS THEREOF AS MULTIPHASE FLOW TEST FLUIDS TO BE USED BY THE OIL AND GAS INDUSTRY.
  [FR] GRAPHÈNES ALKYLÉS SYNTHÉTIQUES ET SOLUTIONS DE CEUX-CI COMME FLUIDES D'ESSAI D'ÉCOULEMENT MULTIPHASÉ DESTINÉS À L'INDUSTRIE PÉTROLIÈRE ET GAZIÈRE

  摘要：

  选择结构良好的合成烷基化石墨烯用于模拟天然沥青质。这种混合物可以作为多相流测试流体，通常用于石油和天然气行业。

  公开号：

  WO2013162381A1

文献信息

• Systematic Studies on Structural Parameters for Nanotubular Assembly of Hexa-<i>peri</i>-hexabenzocoronenes
  作者：Wusong Jin、Yohei Yamamoto、Takanori Fukushima、Noriyuki Ishii、Jungeun Kim、Kenichi Kato、Masaki Takata、Takuzo Aida

  DOI：10.1021/ja801179e

  日期：2008.7.1

  Thirteen different hexa-peri-hexabenzocoronenes (HBCs) I-III were newly synthesized, and their self-assembling behaviors were investigated. Taking into account also the reported behaviors of amphiphilic HBCs, some structural parameters of HBC essential for the tubular assembly were revealed. Points to highlight include (1) the importance of two phenyl groups attached to one side of the HBC unit, (2) essential roles of long paraffinic side chains on the other side of the phenyl groups, and (3) no necessity of hydrophilic oligo(ethylene glycol) side chains. The hierarchical nanotubular structure, rendered by virtue of a synchrotron radiation technique, was virtually identical to our previous proposal, where the nanotubes are composed of helically coiled bilayer tapes with a tilting angle of similar to 45 degrees. Each tape consists of pi-stacked HBC units, where the inner and outer HBC layers are connected by interdigitation of paraffinic side chains. The coiled structure is most likely caused by a steric congestion of the phenyl groups attached to the HBC unit, whose tilting direction may determine the handedness of the helically chiral nanotube.