1-phenyl-2-(4-tert-butylphenyl)-5-{3-[9',9'-di-n-butyl-7'-iodo-2'-fluorenyl]phenyl}-1,3,4-triazole | 911304-24-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 1-phenyl-2-(4-tert-butylphenyl)-5-{3-[9',9'-di-n-butyl-7'-iodo-2'-fluorenyl]phenyl}-1,3,4-triazole
• 英文别名: 3-(4-Tert-butylphenyl)-5-[3-(9,9-dibutyl-7-iodofluoren-2-yl)phenyl]-4-phenyl-1,2,4-triazole
• CAS: 911304-24-0
• 化学式: C₄₅H₄₆IN₃
• 分子量: 755.785
• InChiKey: UBPDRFOHGNLXQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  49
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  9,9-di(n-butyl)-2-(diphenylamino)-7-fluorenylboronic acid 、 1-phenyl-2-(4-tert-butylphenyl)-5-{3-[9',9'-di-n-butyl-7'-iodo-2'-fluorenyl]phenyl}-1,3,4-triazole 在 palladium diacetate potassium carbonate 、 三(邻甲基苯基)磷 作用下， 以 甲醇 、 甲苯 为溶剂， 以87%的产率得到1-phenyl-2-(4-tert-butylphenyl)-5-{3-[9',9',9'',9''-tetra-n-butyl-7''-diphenylamino-2',7'-bifluorenyl]phenyl}-1,3,4-triazole
  参考文献：
  名称：

  Synthesis and Light-Emitting Properties of Bipolar Oligofluorenes Containing Triarylamine and 1,2,4-Triazole Moieties

  摘要：

  A facile approach for synthesis of bipolar oligofluorenes, TAZ-OF(n)-NPh, n) 2 or 3 end-capped with hole-transporting diphenylamino and electron-transporting triazole moieties by Suzuki cross-coupling as the key reaction has been developed. This novel bipolar oligofluorenes exhibited blue-emission, high thermal and morphological stabilities. The single-layer OLED based on TAZ-OF(2)-NPh exhibited superior device performance with a maximum luminance of 1128 cd m(-2) and luminance efficiency of up to 0.83 cd A(-1).

  DOI：

  10.1021/ol0615477
• 作为产物：
  描述：

  3-溴苯甲酰氯 在 palladium diacetate 碘 、 silver trifluoroacetate 、 potassium carbonate 、 三乙胺 、 三(邻甲基苯基)磷 、 三氯氧磷 作用下， 以 甲醇 、 氯仿 、 邻二氯苯 、 甲苯 为溶剂， 反应 2.0h， 生成 1-phenyl-2-(4-tert-butylphenyl)-5-{3-[9',9'-di-n-butyl-7'-iodo-2'-fluorenyl]phenyl}-1,3,4-triazole
  参考文献：
  名称：

  Synthesis and Light-Emitting Properties of Bipolar Oligofluorenes Containing Triarylamine and 1,2,4-Triazole Moieties

  摘要：

  A facile approach for synthesis of bipolar oligofluorenes, TAZ-OF(n)-NPh, n) 2 or 3 end-capped with hole-transporting diphenylamino and electron-transporting triazole moieties by Suzuki cross-coupling as the key reaction has been developed. This novel bipolar oligofluorenes exhibited blue-emission, high thermal and morphological stabilities. The single-layer OLED based on TAZ-OF(2)-NPh exhibited superior device performance with a maximum luminance of 1128 cd m(-2) and luminance efficiency of up to 0.83 cd A(-1).

  DOI：

  10.1021/ol0615477