5,12-bis(5,5''-bis(trimethylsilyl)-[2,2':3',2''-terthiophen]-5'-yl)-2,9-dioctylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone | 1227479-93-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5,12-bis(5,5''-bis(trimethylsilyl)-[2,2':3',2''-terthiophen]-5'-yl)-2,9-dioctylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
• CAS: 1227479-93-7
• 化学式: C₇₆H₈₆N₂O₄S₆Si₄
• 分子量: 1396.27
• InChiKey: YVCCWROGQGNKKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.2
• 重原子数：
  92.0
• 可旋转键数：
  24.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  74.76
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  5,12-bis(5,5''-bis(trimethylsilyl)-[2,2':3',2''-terthiophen]-5'-yl)-2,9-dioctylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  Terthiophene−Perylene diimides: Color Tuning via Architecture Variation

  摘要：

  N,N'-Bisoctylperylene diimides (PDIs) have been functionalized in the 1,7-position with terthiophenes of varying architecture giving three new donor-acceptor (D-A) compounds of the same molecular weight Different conjugation lengths, arrangements, and connections of the thiophene units within themselves and toward the PDI core have strong effects on the optical, electronic, and photochemical properties of the D-A compounds Like jigsaw pieces joined together to give different pictures, the terthiophenes are linked to PDIs to achieve different colors These insights into tuning color and energy levels can open new possibilities for tailoring chromophores to their desired applications, e g, organic photovoltaics or organic field effect transistors

  DOI：

  10.1021/jp911800q
• 作为产物：
  描述：

  2-[5,5''-bis(trimethylsilyl)-[2,2':3',2''-terthiophen]-5'-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 、 N,N'-二辛基-1,7-二溴-苝四羧酸二酰亚胺 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 72.0h， 以47%的产率得到5,12-bis(5,5''-bis(trimethylsilyl)-[2,2':3',2''-terthiophen]-5'-yl)-2,9-dioctylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
  参考文献：
  名称：

  Terthiophene−Perylene diimides: Color Tuning via Architecture Variation

  摘要：

  N,N'-Bisoctylperylene diimides (PDIs) have been functionalized in the 1,7-position with terthiophenes of varying architecture giving three new donor-acceptor (D-A) compounds of the same molecular weight Different conjugation lengths, arrangements, and connections of the thiophene units within themselves and toward the PDI core have strong effects on the optical, electronic, and photochemical properties of the D-A compounds Like jigsaw pieces joined together to give different pictures, the terthiophenes are linked to PDIs to achieve different colors These insights into tuning color and energy levels can open new possibilities for tailoring chromophores to their desired applications, e g, organic photovoltaics or organic field effect transistors

  DOI：

  10.1021/jp911800q