1,3-bis[4-(p-tolyl)-2,3,5,6-tetraphenylphenyl]benzene | 308810-54-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,3-bis[4-(p-tolyl)-2,3,5,6-tetraphenylphenyl]benzene
• 英文别名: 1-(4-Methylphenyl)-4-[3-[4-(4-methylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]-2,3,5,6-tetraphenylbenzene
• CAS: 308810-54-0
• 化学式: C₈₀H₅₈
• 分子量: 1019.34
• InChiKey: VVGOQPXFTAGSSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.2
• 重原子数：
  80
• 可旋转键数：
  12
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,3-bis[4-(p-tolyl)-2,3,5,6-tetraphenylphenyl]benzene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 4.0h， 生成 1-[4-(Bromomethyl)phenyl]-4-[3-[4-[4-(bromomethyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]-2,3,5,6-tetraphenylbenzene
  参考文献：
  名称：

  Giant Cyclophanes Built from Polyphenyl Aromatic Substructures

  摘要：

  Two very large cyclophanes (3, C132H92O8S4; 4, C172H120O8S4) were prepared by means of short syntheses (similar to 5 steps) from commercial starting materials. In each of these cyclophanes, two octaphenylnaphthalene subunits or two 1,3-bis(pentaphenylphenyl)benzene subunits were tethered to form the final macrocycle. X-ray analysis of 3 shows it to have a collapsed conformation, but molecules of 4 have large central cavities which are aligned in the crystal to form wide, solvent-containing channels.

  DOI：

  10.1021/jo000236l
• 作为产物：
  描述：

  对甲苯基乙酸甲酯 在 氢氧化钾 、 lithium diisopropyl amide 作用下， 以 乙醇 、 正己烷 、 水 为溶剂， 反应 4.0h， 生成 1,3-bis[4-(p-tolyl)-2,3,5,6-tetraphenylphenyl]benzene
  参考文献：
  名称：

  Giant Cyclophanes Built from Polyphenyl Aromatic Substructures

  摘要：

  Two very large cyclophanes (3, C132H92O8S4; 4, C172H120O8S4) were prepared by means of short syntheses (similar to 5 steps) from commercial starting materials. In each of these cyclophanes, two octaphenylnaphthalene subunits or two 1,3-bis(pentaphenylphenyl)benzene subunits were tethered to form the final macrocycle. X-ray analysis of 3 shows it to have a collapsed conformation, but molecules of 4 have large central cavities which are aligned in the crystal to form wide, solvent-containing channels.

  DOI：

  10.1021/jo000236l

文献信息

• Giant Cyclophanes Built from Polyphenyl Aromatic Substructures
  作者：Robert A. Pascal,、Lisa Barnett、Xiaoxin Qiao、Douglas M. Ho

  DOI：10.1021/jo000236l

  日期：2000.11.1

  Two very large cyclophanes (3, C132H92O8S4; 4, C172H120O8S4) were prepared by means of short syntheses (similar to 5 steps) from commercial starting materials. In each of these cyclophanes, two octaphenylnaphthalene subunits or two 1,3-bis(pentaphenylphenyl)benzene subunits were tethered to form the final macrocycle. X-ray analysis of 3 shows it to have a collapsed conformation, but molecules of 4 have large central cavities which are aligned in the crystal to form wide, solvent-containing channels.