| 1380497-13-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1380497-13-1
• 化学式: C₆₁H₄₉N₇O₄
• 分子量: 944.105
• InChiKey: XHUFYPGTLYNGFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.22
• 重原子数：
  72.0
• 可旋转键数：
  6.0
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  159.3
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  N-butyl-1,7-di(4-tert-butyl)phenoxylperylene-3,4-dicarboxylic imide-9,10-dicarboxylic anhydride 、 在 咪唑 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以12%的产率得到7-Butyl-11,22-dipyrrolidin-1-yl-18-[2',7,7'-tris[18-butyl-11,22-bis(4-tert-butylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-7-yl]-9,9'-spirobi[fluorene]-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  Perylenetetracarboxylic Diimide Derivatives Linked with Spirobifluorene

  摘要：

  A series of perylenetetracarboxylic diimide (PDI) compounds linked with spirobifluorene have been prepared. The orthogonal configuration of the PDI subunits efficiently hindered their molecular aggregation in solution. Energy transfer from a 1,7-diphenoxyl group substituted PDI (PO-PDI) to a 1,7-dipyrrolidinyl group substituted PDI (PY-PDI) occurred with a large efficiency when PO-PDI was selectively excited, despite the orthogonal orientation of the two units. This observation was in direct conflict with predictions derived from the Forster theory. More interestingly, this efficient energy transfer also occurred in the solid state.

  DOI：

  10.1021/ol300985h
• 作为产物：
  描述：

  1,7-dipyrrolidinyl-perylene-9,10-(N-butyl)-dicarboxyimide-3,4-dicarboxylic anhydride 、 2,2',7,7′-四氨基-9,9′-联二螺旋芴 在 咪唑 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以6%的产率得到
  参考文献：
  名称：

  Perylenetetracarboxylic Diimide Derivatives Linked with Spirobifluorene

  摘要：

  A series of perylenetetracarboxylic diimide (PDI) compounds linked with spirobifluorene have been prepared. The orthogonal configuration of the PDI subunits efficiently hindered their molecular aggregation in solution. Energy transfer from a 1,7-diphenoxyl group substituted PDI (PO-PDI) to a 1,7-dipyrrolidinyl group substituted PDI (PY-PDI) occurred with a large efficiency when PO-PDI was selectively excited, despite the orthogonal orientation of the two units. This observation was in direct conflict with predictions derived from the Forster theory. More interestingly, this efficient energy transfer also occurred in the solid state.

  DOI：

  10.1021/ol300985h