8,31-Bis[2,6-di(propan-2-yl)phenyl]-8,31-diazapentadecacyclo[27.23.1.16,50.02,27.03,12.04,51.05,10.013,26.015,24.017,22.033,53.035,52.036,49.038,47.040,45]tetrapentaconta-1,3,5(10),6(54),11,13,15,17,19,21,23,25,27,29(53),33,35(52),36,38,40,42,44,46,48,50-tetracosaene-7,9,30,32-tetrone | 1335241-31-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 8,31-Bis[2,6-di(propan-2-yl)phenyl]-8,31-diazapentadecacyclo[27.23.1.16,50.02,27.03,12.04,51.05,10.013,26.015,24.017,22.033,53.035,52.036,49.038,47.040,45]tetrapentaconta-1,3,5(10),6(54),11,13,15,17,19,21,23,25,27,29(53),33,35(52),36,38,40,42,44,46,48,50-tetracosaene-7,9,30,32-tetrone
• 英文别名: 8,31-bis[2,6-di(propan-2-yl)phenyl]-8,31-diazapentadecacyclo[27.23.1.16,50.02,27.03,12.04,51.05,10.013,26.015,24.017,22.033,53.035,52.036,49.038,47.040,45]tetrapentaconta-1,3,5(10),6(54),11,13,15,17,19,21,23,25,27,29(53),33,35(52),36,38,40,42,44,46,48,50-tetracosaene-7,9,30,32-tetrone
• CAS: 1335241-31-0
• 化学式: C₇₆H₅₄N₂O₄
• 分子量: 1059.28
• InChiKey: BKQQEAARCBJBEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20
• 重原子数：
  82
• 可旋转键数：
  6
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  反应 2.0h， 以64%的产率得到8,31-Bis[2,6-di(propan-2-yl)phenyl]-8,31-diazapentadecacyclo[27.23.1.16,50.02,27.03,12.04,51.05,10.013,26.015,24.017,22.033,53.035,52.036,49.038,47.040,45]tetrapentaconta-1,3,5(10),6(54),11,13,15,17,19,21,23,25,27,29(53),33,35(52),36,38,40,42,44,46,48,50-tetracosaene-7,9,30,32-tetrone
  参考文献：
  名称：

  Anthraceno-Perylene Bisimides: The Precursor of a New Acene

  摘要：

  A controlled synthesis strategy for a anthracene-fused perylene bisimide was developed from the cyclization of an anthracene unit pendant to a perylene diimide scaffold. The direct cyclization led to a zigzag molecule, while a Diels-Alder strategy influenced the reglochemistry of cyclization to afford the linear precursor of a new acene.

  DOI：

  10.1021/ol202417u

文献信息

• Anthraceno-Perylene Bisimides: The Precursor of a New Acene
  作者：Yongjun Li、Liang Xu、Taifeng Liu、Yanwen Yu、Huibiao Liu、Yuliang Li、Daoben Zhu

  DOI：10.1021/ol202417u

  日期：2011.10.21

  A controlled synthesis strategy for a anthracene-fused perylene bisimide was developed from the cyclization of an anthracene unit pendant to a perylene diimide scaffold. The direct cyclization led to a zigzag molecule, while a Diels-Alder strategy influenced the reglochemistry of cyclization to afford the linear precursor of a new acene.