3,6-dibenzyl-10,10-dioctyl-2,7-diphenyl-6,10-dihydro-3H-fluoreno[2,3-d:6,7-d']diimidazole | 1352045-48-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 3,6-dibenzyl-10,10-dioctyl-2,7-diphenyl-6,10-dihydro-3H-fluoreno[2,3-d:6,7-d']diimidazole
• 英文别名: 5,17-Dibenzyl-11,11-dioctyl-6,16-diphenyl-5,7,15,17-tetrazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),6,9,12,14(18),15-octaene；5,17-dibenzyl-11,11-dioctyl-6,16-diphenyl-5,7,15,17-tetrazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),6,9,12,14(18),15-octaene
• CAS: 1352045-48-7
• 化学式: C₅₇H₆₂N₄
• 分子量: 803.146
• InChiKey: CMYVUCQZXANWMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  61
• 可旋转键数：
  20
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,6-dinitro-9,9-dioctylfluorene-2,7-diamine 、 苯甲醛 在 盐酸 、 tin 作用下， 以 乙醇 、 水 、 1,4-二氧六环 为溶剂， 反应 10.0h， 生成 10,10-dioctyl-2,7-diphenyl-6,10-dihydro-3H-fluoreno[2,3-d:6,7-d']diimidazole 、 3-benzyl-10,10-dioctyl-2,7-diphenyl-6,10-dihydro-3H-fluoreno[2,3-d:6,7-d']diimidazole 、 3,6-dibenzyl-10,10-dioctyl-2,7-diphenyl-6,10-dihydro-3H-fluoreno[2,3-d:6,7-d']diimidazole
  参考文献：
  名称：

  Synthesis and optical properties of 6,10-dihydrofluoreno[2,3-d:6,7-d′]diimidazole derivatives

  摘要：

  A series of 10,10-dioctyl-3,6-dihydrofluoreno[2,3-d:6,7-d']diimidazole derivatives were conveniently synthesized by condensation of the key intermediate 2,3,6,7-tetraamino-9,9-dioctylfluorene (TADOF) with aldehydes under very mild conditions. All of the target compounds were characterized using H-1 NMR, C-13 NMR, and elemental analysis. The crystal structure of 3,6-dibenzyl-10,10-dioctyl-2,7-diphenyl-6,10-dihydro-3H-fluoreno[2,3-d:6,7-d']diimidazole was determined as triclinic, space group P-1 type, using single X-ray crystallography. For seventeen samples, UV-visible absorption maximum wavelength (lambda(max)), fluorescence excitation wavelength (lambda(ex)), fluorescence emission wavelength (lambda(em)) and fluorescence quantum yield (phi(FL)) were measured in dilute dichloromethane solution and in the solid state. These compounds possess a medium strong blue fluorescence-emitting ability with phi(FL) values in the region of 0.30-0.89 and structure-optical behavior characteristics were discussed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.03.004

文献信息

• Synthesis and optical properties of 6,10-dihydrofluoreno[2,3-d:6,7-d′]diimidazole derivatives
  作者：Hong-Fang Chen、Yong-Mei Cui、Jian-Guang Guo、Hai-Xia Lin

  DOI：10.1016/j.dyepig.2012.03.004

  日期：2012.9

  A series of 10,10-dioctyl-3,6-dihydrofluoreno[2,3-d:6,7-d']diimidazole derivatives were conveniently synthesized by condensation of the key intermediate 2,3,6,7-tetraamino-9,9-dioctylfluorene (TADOF) with aldehydes under very mild conditions. All of the target compounds were characterized using H-1 NMR, C-13 NMR, and elemental analysis. The crystal structure of 3,6-dibenzyl-10,10-dioctyl-2,7-diphenyl-6,10-dihydro-3H-fluoreno[2,3-d:6,7-d']diimidazole was determined as triclinic, space group P-1 type, using single X-ray crystallography. For seventeen samples, UV-visible absorption maximum wavelength (lambda(max)), fluorescence excitation wavelength (lambda(ex)), fluorescence emission wavelength (lambda(em)) and fluorescence quantum yield (phi(FL)) were measured in dilute dichloromethane solution and in the solid state. These compounds possess a medium strong blue fluorescence-emitting ability with phi(FL) values in the region of 0.30-0.89 and structure-optical behavior characteristics were discussed. (C) 2012 Elsevier Ltd. All rights reserved.