(25-Borono-12,22-dihexyl-38,38,39,39-tetramethyl-17-methylidene-9-decacyclo[38.3.1.133,37.02,11.03,8.012,43.022,34.023,32.026,31.036,41]pentatetraconta-1(43),2(11),3,5,7,9,23(32),24,26,28,30,33,35,37(45),40(44),41-hexadecaenyl)boronic acid

• 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: (25-Borono-12,22-dihexyl-38,38,39,39-tetramethyl-17-methylidene-9-decacyclo[38.3.1.133,37.02,11.03,8.012,43.022,34.023,32.026,31.036,41]pentatetraconta-1(43),2(11),3,5,7,9,23(32),24,26,28,30,33,35,37(45),40(44),41-hexadecaenyl)boronic acid
• 英文别名: (25-borono-12,22-dihexyl-38,38,39,39-tetramethyl-17-methylidene-9-decacyclo[38.3.1.133,37.02,11.03,8.012,43.022,34.023,32.026,31.036,41]pentatetraconta-1(43),2(11),3,5,7,9,23(32),24,26,28,30,33,35,37(45),40(44),41-hexadecaenyl)boronic acid
• 化学式: C₆₂H₇₄B₂O₄
• 分子量: 904.9
• InChiKey: BHAOYDYHIYHGCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.75
• 重原子数：
  68
• 可旋转键数：
  12
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4