2-(5,5,10,10,15,15-Hexahexyl-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluoren-2-yl)-[1,3,2]dioxaborinane | 825655-29-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2-(5,5,10,10,15,15-Hexahexyl-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluoren-2-yl)-[1,3,2]dioxaborinane
• CAS: 825655-29-6
• 化学式: C₆₆H₉₅BO₂
• 分子量: 931.29
• InChiKey: VDCHHAXRWDDYEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.44
• 重原子数：
  69.0
• 可旋转键数：
  31.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-(5,5,10,10,15,15-Hexahexyl-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluoren-2-yl)-[1,3,2]dioxaborinane 、 2,7-二溴-9,9'-螺二芴 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以86%的产率得到6-[7'-(9,9,18,18,27,27-Hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaenyl)-9,9'-spirobi[fluorene]-2'-yl]-9,9,18,18,27,27-hexahexylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
  参考文献：
  名称：

  π-Conjugated Twin Molecules Based on Truxene:  Synthesis and Optical Properties

  摘要：

  [Graphics]A series of novel extended pi-conjugated twin molecules based on 10,15-dihydro-5H-diindeno[1,2-alpha;1',2'-c]fluorene (truxene) have been prepared via Pd(0)-catalyzed Suzuki coupling, Sonogashira coupling, and McMurry reactions, respectively. 9,9'-Spirobifluorenylene, ethynylene, and vinylene groups as the bridge are introduced to connect both truxene moieties to understand the effect of the large steric chromophores on the properties of the desired materials. The investigation of optical properties of TM1-3 by UV-vis and photoluminescent spectroscopy demonstrates that the optical properties of the twin molecules are strongly affected by the pi-linkages.

  DOI：

  10.1021/ol048144w
• 作为产物：
  描述：

  5,5,10,10,15,15-hexahexyltruxene 在 正丁基锂 、 碘 、 高碘酸 作用下， 以 四氢呋喃 、 正己烷 、 硫酸 、 水 、 溶剂黄146 、 甲苯 为溶剂， 反应 128.0h， 生成 2-(5,5,10,10,15,15-Hexahexyl-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluoren-2-yl)-[1,3,2]dioxaborinane
  参考文献：
  名称：

  π-Conjugated Twin Molecules Based on Truxene:  Synthesis and Optical Properties

  摘要：

  [Graphics]A series of novel extended pi-conjugated twin molecules based on 10,15-dihydro-5H-diindeno[1,2-alpha;1',2'-c]fluorene (truxene) have been prepared via Pd(0)-catalyzed Suzuki coupling, Sonogashira coupling, and McMurry reactions, respectively. 9,9'-Spirobifluorenylene, ethynylene, and vinylene groups as the bridge are introduced to connect both truxene moieties to understand the effect of the large steric chromophores on the properties of the desired materials. The investigation of optical properties of TM1-3 by UV-vis and photoluminescent spectroscopy demonstrates that the optical properties of the twin molecules are strongly affected by the pi-linkages.

  DOI：

  10.1021/ol048144w