3-[6-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)pyridin-2-yl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one | 186685-57-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-[6-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)pyridin-2-yl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one
• CAS: 186685-57-4
• 化学式: C₅₁H₃₃NO₂
• 分子量: 691.829
• InChiKey: TVTZIMXVQWEMKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  54
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4,5,6-tetraphenylanthranilic acid 、 3-[6-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)pyridin-2-yl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one 在 亚硝酸异戊酯 作用下， 生成 2,6-bis(heptaphenyl-2-naphthyl)pyridine
  参考文献：
  名称：

  Albatrossidine: A large, easily synthesized molecular cleft

  摘要：

  2,6-Bis(heptaphenyl-2-naphthyl)pyridine (1) was prepared in three steps from 2,6-bis(phenylethynyl)pyridine. and its X-ray structure was determined. The pyridine nitrogen lies at the base of a broad, chiral molecular cleft created by the perphenylnaphthyl ''wings'' of 1. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02261-7
• 作为产物：
  描述：

  2,6-bis(2-phenylethynyl)pyridine 在 氢氧化钾 、 N-溴代丁二酰亚胺(NBS) 、 乙酸酐 、 氢气 、 二甲基亚砜 作用下， 生成 3-[6-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)pyridin-2-yl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one
  参考文献：
  名称：

  Albatrossidine: A large, easily synthesized molecular cleft

  摘要：

  2,6-Bis(heptaphenyl-2-naphthyl)pyridine (1) was prepared in three steps from 2,6-bis(phenylethynyl)pyridine. and its X-ray structure was determined. The pyridine nitrogen lies at the base of a broad, chiral molecular cleft created by the perphenylnaphthyl ''wings'' of 1. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02261-7

文献信息

• Albatrossidine: A large, easily synthesized molecular cleft
  作者：Ling Tong、Douglas M. Ho、Nancy J. Vogelaar、Clarence E. Schutt、Robert A. Pascal

  DOI：10.1016/s0040-4039(96)02261-7

  日期：1997.1

  2,6-Bis(heptaphenyl-2-naphthyl)pyridine (1) was prepared in three steps from 2,6-bis(phenylethynyl)pyridine. and its X-ray structure was determined. The pyridine nitrogen lies at the base of a broad, chiral molecular cleft created by the perphenylnaphthyl ''wings'' of 1. Copyright (C) 1996 Elsevier Science Ltd