11,13,31,33,48,50,73,75-Octamethyl-3,12,21,32,49,74-hexakis-phenyl-1,12,23,32,49,74-hexakis(sulfanylidene)-4,20,24,40,41,57,66,82-octaoxa-2,10,11,13,14,22,30,31,33,34,47,48,50,51,72,73,75,76-octadecaza-1lambda5,3lambda5,12lambda5,21lambda5,23lambda5,32lambda5,49lambda5,74lambda5-octaphosphaundecacyclo[21.17.17.173,21.25,8.216,19.225,28.236,39.242,45.253,56.267,70.278,81]nonaconta-2,5(86),6,8(85),9,14,16(84),17,19(83),21,25,27,29,34,36,38,42(61),43,45(60),46,51,53(59),54,56(58),62,64,67,69,71,76,78,80,87,89-tetratriacontaene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 11,13,31,33,48,50,73,75-Octamethyl-3,12,21,32,49,74-hexakis-phenyl-1,12,23,32,49,74-hexakis(sulfanylidene)-4,20,24,40,41,57,66,82-octaoxa-2,10,11,13,14,22,30,31,33,34,47,48,50,51,72,73,75,76-octadecaza-1lambda5,3lambda5,12lambda5,21lambda5,23lambda5,32lambda5,49lambda5,74lambda5-octaphosphaundecacyclo[21.17.17.173,21.25,8.216,19.225,28.236,39.242,45.253,56.267,70.278,81]nonaconta-2,5(86),6,8(85),9,14,16(84),17,19(83),21,25,27,29,34,36,38,42(61),43,45(60),46,51,53(59),54,56(58),62,64,67,69,71,76,78,80,87,89-tetratriacontaene
• 英文别名: 11,13,31,33,48,50,73,75-octamethyl-3,12,21,32,49,74-hexakis-phenyl-1,12,23,32,49,74-hexakis(sulfanylidene)-4,20,24,40,41,57,66,82-octaoxa-2,10,11,13,14,22,30,31,33,34,47,48,50,51,72,73,75,76-octadecaza-1λ5,3λ5,12λ5,21λ5,23λ5,32λ5,49λ5,74λ5-octaphosphaundecacyclo[21.17.17.173,21.25,8.216,19.225,28.236,39.242,45.253,56.267,70.278,81]nonaconta-2,5(86),6,8(85),9,14,16(84),17,19(83),21,25,27,29,34,36,38,42(61),43,45(60),46,51,53(59),54,56(58),62,64,67,69,71,76,78,80,87,89-tetratriacontaene
• 化学式: C₁₀₀H₉₄N₁₈O₈P₈S₆
• 分子量: 2116.1
• InChiKey: XJNPVBQXYVYSKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.9
• 重原子数：
  140
• 可旋转键数：
  6
• 环数：
  29.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  416
• 氢给体数：
  0
• 氢受体数：
  32