3,18,25,40-Tetrazoniaundecacyclo[40.2.2.23,6.27,10.211,14.215,18.220,23.225,28.229,32.233,36.237,40]tetrahexaconta-1(44),3(64),4,6(63),7(62),8,10(61),11(60),12,14(59),15(58),16,18(57),20(56),21,23(55),25,27,29,31,33,35,37,39,42,45,47,49,51,53-triacontaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3,18,25,40-Tetrazoniaundecacyclo[40.2.2.23,6.27,10.211,14.215,18.220,23.225,28.229,32.233,36.237,40]tetrahexaconta-1(44),3(64),4,6(63),7(62),8,10(61),11(60),12,14(59),15(58),16,18(57),20(56),21,23(55),25,27,29,31,33,35,37,39,42,45,47,49,51,53-triacontaene
• 英文别名: 3,18,25,40-tetrazoniaundecacyclo[40.2.2.23,6.27,10.211,14.215,18.220,23.225,28.229,32.233,36.237,40]tetrahexaconta-1(44),3(64),4,6(63),7(62),8,10(61),11(60),12,14(59),15(58),16,18(57),20(56),21,23(55),25,27,29,31,33,35,37,39,42,45,47,49,51,53-triacontaene
• 化学式: C60H48N4+4
• 分子量: 825.0
• InChiKey: YOPWIYNISQDWJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  64
• 可旋转键数：
  0
• 环数：
  26.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  15.5
• 氢给体数：
  0
• 氢受体数：
  0

文献信息

• TETRACATIONIC CYCLOPHANES AND THEIR USE IN THE SEQUESTRATION OF POLYAROMATIC HYDROCARBONS BY WAY OF COMPLEXATION
  申请人：Stoddart J. Fraser

  公开号：US20140179017A1

  公开（公告）日：2014-06-26

  Novel tetracationic cyclophanes incorporating π-electron poor organic compounds into their ring structures, as well as methods of making the cyclophanes, are provided. The cyclophanes are able to form electron donor-acceptor complexes with a variety of polyaromatic hydrocarbons (PAHs) ranging in size, shape, and electron density. Also provided are methods of using the cyclophanes in the sequestration of PAHs in liquid or gaseous samples, the separation of PAHs from liquid or gaseous samples, the detection of PAHs in liquid samples, and the exfoliation of graphene via pseudopolyrotaxane formation.

  提供了将π-电子贫的有机化合物结合到其环结构中的新型四阳离子环戊烷，以及制备这些环戊烷的方法。这些环戊烷能够与各种大小、形状和电子密度的多芳香烃（PAHs）形成电子给体-受体复合物。还提供了使用这些环戊烷在液态或气态样品中固定PAHs、从液态或气态样品中分离PAHs、在液态样品中检测PAHs以及通过伪聚环醇缠结形成来剥离石墨烯的方法。
• US9290495B2
  申请人：——

  公开号：US9290495B2

  公开（公告）日：2016-03-22
• [EN] TETRACATIONIC CYCLOPHANES AND THEIR USE IN THE SEQUESTRATION OF POLYAROMATIC HYDROCARBONS BY WAY OF COMPLEXATION<br/>[FR] CYCLOPHANES TÉTRACATIONIQUES ET LEUR UTILISATION DANS LA SÉQUESTRATION D'HYDROCARBURES POLYAROMATIQUES AU MOYEN D'UNE COMPLEXATION
  申请人：UNIV NORTHWESTERN

  公开号：WO2014100691A1

  公开（公告）日：2014-06-26

  Novel tetracationic cyclophanes incorporating π-electron poor organic compounds into their ring structures, as well as methods of making the cyclophanes, are provided. The cyclophanes are able to form electron donor-acceptor complexes with a variety of polyaromatic hydrocarbons (PAHs) ranging in size, shape, and electron density. Also provided are methods of using the cyclophanes in the sequestration of PAHs in liquid or gaseous samples, the separation of PAHs from liquid or gaseous samples, the detection of PAHs in liquid samples, and the exfoliation of graphene via pseudopolyrotaxane formation.