dispiro[indene-2,5'-indeno[2,1-a]fluorene-6',2''-indene]-1,1'',3,3'',11',12'-hexaone | 1152234-41-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: dispiro[indene-2,5'-indeno[2,1-a]fluorene-6',2''-indene]-1,1'',3,3'',11',12'-hexaone
• CAS: 1152234-41-7
• 化学式: C₃₆H₁₆O₆
• 分子量: 544.519
• InChiKey: BIFQXPKZNUJJGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  双茚二酮 在 盐酸 作用下， 反应 18.0h， 以22%的产率得到dispiro[indene-2,5'-indeno[2,1-a]fluorene-6',2''-indene]-1,1'',3,3'',11',12'-hexaone
  参考文献：
  名称：

  Dispiro[indene-2,5′-indeno[2,1-a]fluorene-6′,2′′-indene]-1,1′′,3,3′′,11′,12′-hexaone: a three-dimensional hydrogen-bonded framework

  摘要：

  The title compound, C36H16O6, (I), was obtained as a new and unexpected oxidation product of 1,2'-biindene-1',3,3'(2H)-trione. The molecules of (I) exhibit approximate, but noncrystallographic, twofold rotation symmetry and the central ring of the fused pentacyclic portion is distinctly puckered, with a conformation intermediate between half-chair and screw-boat. Six independent C - H center dot center dot center dot O hydrogen bonds link the molecules into a three-dimensional framework structure of considerable complexity. Comparisons are drawn between the crystal structure of (I) and those of several simpler analogues, which show wide variation in their patterns of supramolecular aggregation.

  DOI：

  10.1107/s010827010800396x