HBC-C5-OH | 1040844-89-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: HBC-C5-OH
• CAS: 1040844-89-0
• 化学式: C₇₂H₇₈O₆
• 分子量: 1039.41
• InChiKey: HERAZTNAFXVQMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.38
• 重原子数：
  78.0
• 可旋转键数：
  30.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  121.38
• 氢给体数：
  6.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-溴-2-甲基丙酰溴 、 HBC-C5-OH 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以77.6%的产率得到2,5,8,11,14,17-hexa(bromoisobutyrylcarbonylpentyl)hexa-peri-hexabenzocoronene
  参考文献：
  名称：

  Functionalization of Self-Assembled Hexa-peri-hexabenzocoronene Fibers with Peptides for Bioprobing

  摘要：

  A novel water-soluble hexa-peri-hexabenzocoronene (HBC) derivative with peripheral functional groups, which facilitates a two-step assembly process in water that includes fiber formation via Pi stacking and subsequent peptide probing via electrostatic interactions, is reported. In the first step, the HBC derivative self-assembles into water-soluble red-fluorescent fibers that serve as templates for further functionalization with biomolecules. In the second assembly step, the peripheral functional groups bind green-fluorescent fluorescein-conjugated peptides, leading to the formation of well-defined fibers that were visualized as dual-color fibers in double-fluorescence imaging.

  DOI：

  10.1021/ja9058662