8-[4-[[4-(7,7-Dimethyl-10-phenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2,1,3-benzothiadiazol-7-yl]methyl]-7-(8-hydroxyoctyl)-10-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazol-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-yl]octan-1-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 英文名称: 8-[4-[[4-(7,7-Dimethyl-10-phenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2,1,3-benzothiadiazol-7-yl]methyl]-7-(8-hydroxyoctyl)-10-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazol-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-yl]octan-1-ol
• 英文别名: 8-[4-[[4-(7,7-dimethyl-10-phenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2,1,3-benzothiadiazol-7-yl]methyl]-7-(8-hydroxyoctyl)-10-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazol-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-yl]octan-1-ol
• 化学式: C₆₁H₆₇BN₄O₄S₆
• 分子量: 1123.4
• InChiKey: PJHHYLCUUDLORK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.85
• 重原子数：
  76
• 可旋转键数：
  22
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  280
• 氢给体数：
  2
• 氢受体数：
  14