2,11-Bis[2,6-bis(1-methylethyl)phenyl]pyrido[4',3':10,11]triphenyleno[2,1,12-defg:4,5-f'g'h':7,8,9-d''e''f''g'']triisoquinoline-1,3,10,12(2H,11H)-tetrone | 1203672-74-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2,11-Bis[2,6-bis(1-methylethyl)phenyl]pyrido[4',3':10,11]triphenyleno[2,1,12-defg:4,5-f'g'h':7,8,9-d''e''f''g'']triisoquinoline-1,3,10,12(2H,11H)-tetrone
• 英文别名: 8,23-bis[2,6-di(propan-2-yl)phenyl]-8,15,23,30-tetrazaundecacyclo[19.15.1.16,34.02,19.03,12.04,35.05,10.013,18.025,37.027,36.028,33]octatriaconta-1,3(12),4(35),5,10,13(18),14,16,19,21(37),25,27(36),28(33),29,31,34(38)-hexadecaene-7,9,22,24-tetrone
• CAS: 1203672-74-5
• 化学式: C₅₈H₄₄N₄O₄
• 分子量: 861.012
• InChiKey: NEQJFSSPASDWJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  66
• 可旋转键数：
  6
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,11-Bis[2,6-bis(1-methylethyl)phenyl]pyrido[4',3':10,11]triphenyleno[2,1,12-defg:4,5-f'g'h':7,8,9-d''e''f''g'']triisoquinoline-1,3,10,12(2H,11H)-tetrone 、 碘甲烷 以 乙腈 为溶剂， 反应 30.0h， 以72%的产率得到
  参考文献：
  名称：

  One-Pot Facile Synthesis of Pyridyl Annelated Perylene Bisimides

  摘要：

  Two regiospecifically pyridyl annelated perylene bisimides have been prepared in one pot by the combination of the Suzuki cross-coupling reaction and subsequent light-promoted cyclization In high yields.

  DOI：

  10.1021/ol902526t
• 作为产物：
  描述：

  2,9-bis(2,6-diisopropylphenyl)-5,12-di(pyridin-4-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone 以 二氯甲烷 为溶剂， 反应 5.0h， 以100%的产率得到2,11-Bis[2,6-bis(1-methylethyl)phenyl]pyrido[4',3':10,11]triphenyleno[2,1,12-defg:4,5-f'g'h':7,8,9-d''e''f''g'']triisoquinoline-1,3,10,12(2H,11H)-tetrone
  参考文献：
  名称：

  One-Pot Facile Synthesis of Pyridyl Annelated Perylene Bisimides

  摘要：

  Two regiospecifically pyridyl annelated perylene bisimides have been prepared in one pot by the combination of the Suzuki cross-coupling reaction and subsequent light-promoted cyclization In high yields.

  DOI：

  10.1021/ol902526t

文献信息

• One-Pot Facile Synthesis of Pyridyl Annelated Perylene Bisimides
  作者：Wei Jiang、Yan Li、Wan Yue、Yonggang Zhen、Jianqiang Qu、Zhaohui Wang

  DOI：10.1021/ol902526t

  日期：2010.1.15

  Two regiospecifically pyridyl annelated perylene bisimides have been prepared in one pot by the combination of the Suzuki cross-coupling reaction and subsequent light-promoted cyclization In high yields.