2,6-Dipyridin-2-yl-4-[4-[3,3,3-tris[4-(4-pyren-1-ylbutoxy)phenyl]prop-1-ynyl]phenyl]pyridine | 1340501-78-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2,6-Dipyridin-2-yl-4-[4-[3,3,3-tris[4-(4-pyren-1-ylbutoxy)phenyl]prop-1-ynyl]phenyl]pyridine
• CAS: 1340501-78-1
• 化学式: C₁₀₂H₇₇N₃O₃
• 分子量: 1392.75
• InChiKey: WKAIPNXPINIBKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.4
• 重原子数：
  108
• 可旋转键数：
  26
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 、 2,6-Dipyridin-2-yl-4-[4-[3,3,3-tris[4-(4-pyren-1-ylbutoxy)phenyl]prop-1-ynyl]phenyl]pyridine 以 四氢呋喃 、 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Multivalent Binding Motifs for the Noncovalent Functionalization of Graphene

  摘要：

  Single-layer graphene is a newly, available conductive material ideally suited for. forming well-defined interfaces with electroactive compounds. Aromatic moieties typically interact with the graphene surface to maximize van der Waals interactions, predisposing most compounds to lie flat on its basal plane. Here we describe a tripodal motif that binds multivalently to graphene through three pyrene moieties and projects easily varied functionality away from the surface. The thermodynamic and kinetic binding parameters of a tripod bearing a redox-active Co(II) bis-terpyridyl complex were investigated electrochemically. The complex binds strongly to graphene and forms monolayers with a molecular footprint of 2.3 nm(2) and a Delta G(ads) = -38.8 +/- 0.2 kJ mol(-1). Its monolayers are stable in fresh electrolyte for more than 12 h and desorb from graphene 1000 times more slowly than model compounds bearing a single aromatic binding group. Differences in the heterogeneous' rate constants of electron transfer between the two compounds suggest that the tripod projects its redox couple away from the graphene surface.

  DOI：

  10.1021/ja208239v