7-[3,5-Bis(trifluoromethyl)phenyl]-10,11,14,15,21,22,25,26-octachloro-18-(3,5-difluorophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

• 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: 7-[3,5-Bis(trifluoromethyl)phenyl]-10,11,14,15,21,22,25,26-octachloro-18-(3,5-difluorophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• 英文别名: 7-[3,5-bis(trifluoromethyl)phenyl]-10,11,14,15,21,22,25,26-octachloro-18-(3,5-difluorophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• 化学式: C₃₈H₆Cl₈F₈N₂O₄
• 分子量: 990.1
• InChiKey: FLIQXYGMRDSQGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  60
• 可旋转键数：
  2
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  12

文献信息

• HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF
  申请人：BASF SE

  公开号：US20140155603A1

  公开（公告）日：2014-06-05

  The invention relates to compounds of the formula (I) in which Y 1 and Y 2 are each O or, respectively, NR a or NR b , where R a and R b are each H or organyl; Z 1 to Z 4 are each O or S; R 11 to R 14 , R 21 to R 24 are each Cl, F; where 1 or 2 of the R 11 to R 14 , R 21 to R 24 radicals may also be CN and/or 1 R 11 to R 14 , R 21 to R 24 radical may be H; and where, when Y 1 is NR a , Z 1 or Z 2 may also be NR c , where R a and R c together are a bridging X group having from 2 to 5 atoms; and where, when Y 2 is NR b , Z 3 or Z 4 may also be NR d , where R b and R d together are a bridging X group having from 2 to 5 atoms; to a process for preparation thereof, and to their use as emitter materials, charge transport materials or exciton transport materials.