22,22-Dioxo-22lambda6-thia-10,17,34-triaza-27-azoniadodecacyclo[23.14.1.14,8.02,23.03,21.05,39.09,17.011,16.027,35.028,33.036,40.019,41]hentetraconta-1(39),2(23),3(21),4,6,8(41),9,11,13,15,19,24,27(35),28,30,32,36(40),37-octadecaene-18,26-dione;ethane

• 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: 22,22-Dioxo-22lambda6-thia-10,17,34-triaza-27-azoniadodecacyclo[23.14.1.14,8.02,23.03,21.05,39.09,17.011,16.027,35.028,33.036,40.019,41]hentetraconta-1(39),2(23),3(21),4,6,8(41),9,11,13,15,19,24,27(35),28,30,32,36(40),37-octadecaene-18,26-dione;ethane
• 英文别名: 22,22-dioxo-22λ6-thia-10,17,34-triaza-27-azoniadodecacyclo[23.14.1.14,8.02,23.03,21.05,39.09,17.011,16.027,35.028,33.036,40.019,41]hentetraconta-1(39),2(23),3(21),4,6,8(41),9,11,13,15,19,24,27(35),28,30,32,36(40),37-octadecaene-18,26-dione;ethane
• 化学式: C42H33N4O4S+
• 分子量: 689.8
• InChiKey: ZMQHPJPHIOIATF-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  9.15
• 重原子数：
  51
• 可旋转键数：
  0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  5