[2-[2-[2-Borono-6-(methyliminomethylidene)-5-[7-(methyliminomethylidene)-4-oxo-17-pentacyclo[8.6.1.02,9.03,6.011,16]heptadeca-1,3(6),9,11,13,15-hexaenylidene]cyclohexa-1,3-dien-1-yl]phenyl]-3-(methyliminomethylidene)-4-[7-(methyliminomethylidene)-4-oxo-17-pentacyclo[8.6.1.02,9.03,6.011,16]heptadeca-1,3(6),9,11,13,15-hexaenylidene]-5-(tetradecanoylamino)cyclohexa-1,5-dien-1-yl]boronic acid

• 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: [2-[2-[2-Borono-6-(methyliminomethylidene)-5-[7-(methyliminomethylidene)-4-oxo-17-pentacyclo[8.6.1.02,9.03,6.011,16]heptadeca-1,3(6),9,11,13,15-hexaenylidene]cyclohexa-1,3-dien-1-yl]phenyl]-3-(methyliminomethylidene)-4-[7-(methyliminomethylidene)-4-oxo-17-pentacyclo[8.6.1.02,9.03,6.011,16]heptadeca-1,3(6),9,11,13,15-hexaenylidene]-5-(tetradecanoylamino)cyclohexa-1,5-dien-1-yl]boronic acid
• 英文别名: [2-[2-[2-borono-6-(methyliminomethylidene)-5-[7-(methyliminomethylidene)-4-oxo-17-pentacyclo[8.6.1.02,9.03,6.011,16]heptadeca-1,3(6),9,11,13,15-hexaenylidene]cyclohexa-1,3-dien-1-yl]phenyl]-3-(methyliminomethylidene)-4-[7-(methyliminomethylidene)-4-oxo-17-pentacyclo[8.6.1.02,9.03,6.011,16]heptadeca-1,3(6),9,11,13,15-hexaenylidene]-5-(tetradecanoylamino)cyclohexa-1,5-dien-1-yl]boronic acid
• 化学式: C₇₄H₆₇B₂N₅O₇
• 分子量: 1160.0
• InChiKey: ZVLNLXBWRJKWDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.53
• 重原子数：
  88
• 可旋转键数：
  17
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  194
• 氢给体数：
  5
• 氢受体数：
  11