44-(7-Methyl-16-nonan-2-yl-15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaen-5-yl)-19-pentadecan-8-yl-19-azaoctadecacyclo[38.12.2.22,33.26,9.210,25.221,24.141,45.07,32.08,29.014,23.017,22.037,53.050,54.05,56.013,58.028,59.036,57.049,55]trihexaconta-1(53),2(57),3,5(56),6,8,10(59),11,13(58),14(23),15,17(22),21(61),24(60),25,27,29,31,33,35,37,39,41,43,45,47,49(55),50(54),51,62-triacontaene-18,20-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 44-(7-Methyl-16-nonan-2-yl-15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaen-5-yl)-19-pentadecan-8-yl-19-azaoctadecacyclo[38.12.2.22,33.26,9.210,25.221,24.141,45.07,32.08,29.014,23.017,22.037,53.050,54.05,56.013,58.028,59.036,57.049,55]trihexaconta-1(53),2(57),3,5(56),6,8,10(59),11,13(58),14(23),15,17(22),21(61),24(60),25,27,29,31,33,35,37,39,41,43,45,47,49(55),50(54),51,62-triacontaene-18,20-dione
• 英文别名: 44-(7-methyl-16-nonan-2-yl-15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaen-5-yl)-19-pentadecan-8-yl-19-azaoctadecacyclo[38.12.2.22,33.26,9.210,25.221,24.141,45.07,32.08,29.014,23.017,22.037,53.050,54.05,56.013,58.028,59.036,57.049,55]trihexaconta-1(53),2(57),3,5(56),6,8,10(59),11,13(58),14(23),15,17(22),21(61),24(60),25,27,29,31,33,35,37,39,41,43,45,47,49(55),50(54),51,62-triacontaene-18,20-dione
• 化学式: C₁₀₉H₈₆N₂O₄
• 分子量: 1487.9
• InChiKey: VYXSDDCTKXAOCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.6
• 重原子数：
  115
• 可旋转键数：
  21
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] LIQUID-CRYSTALLINE MEDIUM<br/>[FR] MILIEU À CRISTAUX LIQUIDES
  申请人：MERCK PATENT GMBH

  公开号：WO2014090373A1

  公开（公告）日：2014-06-19

  The application relates to a liquid-crystalline medium comprising at least one dichroic dye having a rylene structure which absorbs red light. The application furthermore relates to a device, preferably a device for the regulation of the passage of energy through a light-transmitting area, which contains the liquid-crystalline medium.