2-[(E)-3-[12-(2-decyltetradecyl)-15-[(1E)-4,4-dicyanobuta-1,3-dienyl]-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]prop-2-enylidene]propanedinitrile | 1342255-80-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-[(E)-3-[12-(2-decyltetradecyl)-15-[(1E)-4,4-dicyanobuta-1,3-dienyl]-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]prop-2-enylidene]propanedinitrile
• CAS: 1342255-80-4
• 化学式: C₅₆H₆₃N₅
• 分子量: 806.15
• InChiKey: HZLWIWPKLCUTAI-VFIVCBTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19
• 重原子数：
  61
• 可旋转键数：
  26
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2-decyltetradecyl)-1H-phenanthro[1,10,9,8-cdefg]carbazole 在 吡啶 、 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 四氯化钛 作用下， 以 四氢呋喃 、 1,1-二氯乙烷 、 正己烷 为溶剂， 反应 25.0h， 生成 2-[(E)-3-[12-(2-decyltetradecyl)-15-[(1E)-4,4-dicyanobuta-1,3-dienyl]-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]prop-2-enylidene]propanedinitrile
  参考文献：
  名称：

  N-Annulated perylene dyes with adjustable photophysical properties

  摘要：

  A series of 'push-pull' dyes derived from an N-annulated perylene core have been designed and synthesized using convenient methods and in high yields. By the appropriate choice of both the terminal acceptors and the length of the conjugated bridges, these dyes not only absorb light covering the visible spectral region but also exhibit strong emission even into the NIR region. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.077

文献信息

• N-Annulated perylene dyes with adjustable photophysical properties
  作者：Lijun Zhu、Chongjun Jiao、Daohong Xia、Jishan Wu

  DOI：10.1016/j.tetlet.2011.09.077

  日期：2011.11

  A series of 'push-pull' dyes derived from an N-annulated perylene core have been designed and synthesized using convenient methods and in high yields. By the appropriate choice of both the terminal acceptors and the length of the conjugated bridges, these dyes not only absorb light covering the visible spectral region but also exhibit strong emission even into the NIR region. (C) 2011 Elsevier Ltd. All rights reserved.