5,6,12,13-tetrakis(4-(tert-butyl)phenoxy)-2,9-bis(3-(diethoxy(methyl)silyl)propyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone | 1259319-43-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 5,6,12,13-tetrakis(4-(tert-butyl)phenoxy)-2,9-bis(3-(diethoxy(methyl)silyl)propyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
• CAS: 1259319-43-1
• 化学式: C₈₀H₉₄N₂O₁₂Si₂
• 分子量: 1331.8
• InChiKey: ZBBPCAQPJIHFAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.36
• 重原子数：
  96.0
• 可旋转键数：
  24.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  148.6
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  5,6,12,13-tetrakis(4-(tert-butyl)phenoxy)-2,9-bis(3-(diethoxy(methyl)silyl)propyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone 在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 以87.5%的产率得到
  参考文献：
  名称：

  Synthesis of a Polymeric Electron Acceptor Based on Perylenediimide-Bridged Ladder Polysiloxane

  摘要：

  A soluble perylenediimide (PDI) bridged ladder polysiloxane (PDI-LPS) was prepared using ladder superstructure (LS) directed dehydration polycondensation. LS was first assembled via synergistic interactions of hydrogen-bonding and pi-pi stacking of tetrasilanol monomers (M2s) as verified from XRD, Si-29 NMR, and VPO characterizations. The ladder regularity of PDI-LPS was confirmed by a narrow half-peak width (Delta) of

  DOI：

  10.1021/ma1025797
• 作为产物：
  描述：

  3-(二乙氧基甲基硅基)丙胺 、 1,6,7,12-四叔丁基苯氧基苝-3,4,9,10-四甲酸二酐 以 乙醇 为溶剂， 反应 10.0h， 以60%的产率得到5,6,12,13-tetrakis(4-(tert-butyl)phenoxy)-2,9-bis(3-(diethoxy(methyl)silyl)propyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
  参考文献：
  名称：

  Synthesis of a Polymeric Electron Acceptor Based on Perylenediimide-Bridged Ladder Polysiloxane

  摘要：

  A soluble perylenediimide (PDI) bridged ladder polysiloxane (PDI-LPS) was prepared using ladder superstructure (LS) directed dehydration polycondensation. LS was first assembled via synergistic interactions of hydrogen-bonding and pi-pi stacking of tetrasilanol monomers (M2s) as verified from XRD, Si-29 NMR, and VPO characterizations. The ladder regularity of PDI-LPS was confirmed by a narrow half-peak width (Delta) of

  DOI：

  10.1021/ma1025797