5,38-Bis(2-hexyldecyl)-8,35-dinaphthalen-1-yl-5,38-diazatridecacyclo[20.18.1.12,17.04,16.06,15.09,14.013,18.025,30.026,41.027,39.028,37.029,34.021,42]dotetraconta-1(40),2,4(16),6(15),7,9,11,13,17,19,21(42),22(41),23,25,27(39),28(37),29,31,33,35-icosaene | 1131759-23-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 5,38-Bis(2-hexyldecyl)-8,35-dinaphthalen-1-yl-5,38-diazatridecacyclo[20.18.1.12,17.04,16.06,15.09,14.013,18.025,30.026,41.027,39.028,37.029,34.021,42]dotetraconta-1(40),2,4(16),6(15),7,9,11,13,17,19,21(42),22(41),23,25,27(39),28(37),29,31,33,35-icosaene
• CAS: 1131759-23-3
• 化学式: C₉₂H₉₄N₂
• 分子量: 1227.77
• InChiKey: WAFMPZVBXWCWHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.6
• 重原子数：
  94
• 可旋转键数：
  30
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  9.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  12-(2-Hexyldecyl)-9-[12-(2-hexyldecyl)-15-naphthalen-1-yl-12-azahexacyclo[11.8.0.02,11.03,8.04,20.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-15-naphthalen-1-yl-12-azahexacyclo[11.8.0.02,11.03,8.04,20.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene 在 一水合肼 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 scandium tris(trifluoromethanesulfonate) 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以62%的产率得到5,38-Bis(2-hexyldecyl)-8,35-dinaphthalen-1-yl-5,38-diazatridecacyclo[20.18.1.12,17.04,16.06,15.09,14.013,18.025,30.026,41.027,39.028,37.029,34.021,42]dotetraconta-1(40),2,4(16),6(15),7,9,11,13,17,19,21(42),22(41),23,25,27(39),28(37),29,31,33,35-icosaene
  参考文献：
  名称：

  Bis-N-Annulated Quaterrylene: An Approach to Processable Graphene Nanoribbons

  摘要：

  A new efficient synthetic method toward processable bis-N-annulated quaterrylene from easily available N-annulated perylene derivatives, which is conducted by DDQ/Sc(OTf)(3) oxidative coupling and ring fusion, is reported. In light of the good processability and the strong electron-donating ability, which is evidenced from the low oxidative potentials, bis-N-annulated quaterrylene is very promising for use as functional components in molecular devices.

  DOI：

  10.1021/ol9002064

文献信息

• Bis-N-Annulated Quaterrylene: An Approach to Processable Graphene Nanoribbons
  作者：Yan Li、Zhaohui Wang

  DOI：10.1021/ol9002064

  日期：2009.3.19

  A new efficient synthetic method toward processable bis-N-annulated quaterrylene from easily available N-annulated perylene derivatives, which is conducted by DDQ/Sc(OTf)(3) oxidative coupling and ring fusion, is reported. In light of the good processability and the strong electron-donating ability, which is evidenced from the low oxidative potentials, bis-N-annulated quaterrylene is very promising for use as functional components in molecular devices.