2-(3,5-二甲基苯基)-9-(4-乙氧基苯 基)-1,3,8,10-四氧蒽并 (2,1,9-def:6,5,10-d'e'f')二异喹啉
2-(3,5-Dimethylphenyl)-9-(4-ethoxyphenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone · CAS 105702-72-5
- 中文名
- 2-(3,5-二甲基苯基)-9-(4-乙氧基苯 基)-1,3,8,10-四氧蒽并 (2,1,9-def:6,5,10-d'e'f')二异喹啉
- 中文别名
- 暂无
- 英文名
- 2-(3,5-Dimethylphenyl)-9-(4-ethoxyphenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
- CAS
- 105702-72-5
- CID
- 13643327
- IUPAC 名称
- 7-(3,5-dimethylphenyl)-18-(4-ethoxyphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
名称与编号
- 中文名
- 2-(3,5-二甲基苯基)-9-(4-乙氧基苯 基)-1,3,8,10-四氧蒽并 (2,1,9-def:6,5,10-d'e'f')二异喹啉
- 中文别名
- 暂无
- 英文名
- 2-(3,5-Dimethylphenyl)-9-(4-ethoxyphenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
- CAS
- 105702-72-5
- CID
- 13643327
- IUPAC 名称
- 7-(3,5-dimethylphenyl)-18-(4-ethoxyphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
分子属性
- 分子式
- C40H26N2O5
- 分子量
- 614.6 g/mol
- 精确质量
- 614.18417193 Da
- 单同位素质量
- 614.18417193 Da
- XLogP
- 7.9
- 极性表面积
- 84 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子数
- 47
- 净电荷
- 0
- 结构复杂度
- 1230
结构标识
- InChIKey
- XTMJMTJOXQOKSI-UHFFFAOYSA-N
- SMILES
- CCOC1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC(=C9)C)C)C2=O
- InChI
- InChI=1S/C40H26N2O5/c1-4-47-24-7-5-22(6-8-24)41-37(43)29-13-9-25-27-11-15-31-36-32(40(46)42(39(31)45)23-18-20(2)17-21(3)19-23)16-12-28(34(27)36)26-10-14-30(38(41)44)35(29)33(25)26/h5-19H,4H2,1-3H3