6,7-dihexyl-2,11-diphenyl-6H,7H-6,7-diaza-6a-boraanthra[2,1,9,8,7-defghi]tetracene

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 6,7-dihexyl-2,11-diphenyl-6H,7H-6,7-diaza-6a-boraanthra[2,1,9,8,7-defghi]tetracene
• 化学式: C₄₆H₄₅BN₂
• 分子量: 636.688
• InChiKey: GOPICCICABXAAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.13
• 重原子数：
  49.0
• 可旋转键数：
  12.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  N², N²''-dihexyl-4',6'-bis(phenylethynyl)-[1,1':3',1''-terphenyl]-2,2''-diamine 在 三乙胺 、 三氟乙酸 作用下， 以 正己烷 、 邻二氯苯 、 甲苯 为溶剂， 反应 14.0h， 生成 6,7-dihexyl-2,11-diphenyl-6H,7H-6,7-diaza-6a-boraanthra[2,1,9,8,7-defghi]tetracene
  参考文献：
  名称：

  Successive Annulation to Fully Zigzag-Edged Polycyclic Heteroaromatic Hydrocarbons with Strong Blue–Green Electroluminescence

  摘要：

  A Bronsted-acid-promoted alkyne benzannulation approach was developed to synthesize the amino-substituted dibenze[a,j]anthracence derivatives in excellent yields, which were directly converted to fully zigzag-edged polycyclic heteroaromatic hydrocarbons via a nitrogen-directed electrophilic borylation. As the dopant in a blue-green electroluminescent device, the resulted compound exhibited relatively high stability.

  DOI：

  10.1021/acs.orglett.9b01487

文献信息

• Successive Annulation to Fully Zigzag-Edged Polycyclic Heteroaromatic Hydrocarbons with Strong Blue–Green Electroluminescence
  作者：Peirong Qiang、Zuobang Sun、Minqiang Wan、Xiaofeng Wang、Palani Thiruvengadam、Chiranjeevi Bingi、Weiwei Wei、Wenqing Zhu、Dongqing Wu、Fan Zhang

  DOI：10.1021/acs.orglett.9b01487

  日期：2019.6.21

  A Bronsted-acid-promoted alkyne benzannulation approach was developed to synthesize the amino-substituted dibenze[a,j]anthracence derivatives in excellent yields, which were directly converted to fully zigzag-edged polycyclic heteroaromatic hydrocarbons via a nitrogen-directed electrophilic borylation. As the dopant in a blue-green electroluminescent device, the resulted compound exhibited relatively high stability.