C147H132N16O7S — CID 158916596
4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone (PubChem CID 158916596) has the molecular formula C147H132N16O7S and a molecular weight of 2266.84 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone.
| Compound Name | 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone |
|---|---|
| PubChem CID | 158916596 |
| Molecular Formula | C147H132N16O7S |
| Molecular Weight | 2266.84 g/mol |
| Exact Mass | 2265.02 |
| IUPAC Name | 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone |
| SMILES | C(=C/c1n[nH]c2ccccc12)\c1ccccc1.CC(=O)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.CCCCC(=O)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.CN(C)CCc1ccc(/C=C/c2n[nH]c3ccccc23)cc1.O=C(CCS(=O)(=O)c1ccccc1)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.O=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)Cc1c[nH]c2ccccc12.O=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)c1ccccc1 |
| InChI | InChI=1S/C26H21N3O.C25H22N2O3S.C23H18N2O.C21H22N2O.C19H21N3.C18H16N2O.C15H12N2/c30-21(16-20-17-27-24-9-5-4-8-22(20)24)14-19-11-13-26-23(15-19)25(28-29-26)12-10-18-6-2-1-3-7-18;28-21(15-16-31(29,30)22-9-5-2-6-10-22)17-20-12-14-25-23(18-20)24(26-27-25)13-11-19-7-3-1-4-8-19;26-23(19-9-5-2-6-10-19)16-18-12-14-22-20(15-18)21(24-25-22)13-11-17-7-3-1-4-8-17;1-2-3-9-18(24)14-17-11-13-21-19(15-17)20(22-23-21)12-10-16-7-5-4-6-8-16;1-22(2)14-13-16-9-7-15(8-10-16)11-12-19-17-5-3-4-6-18(17)20-21-19;1-13(21)11-15-8-10-18-16(12-15)17(19-20-18)9-7-14-5-3-2-4-6-14;1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-13,15,17,27H,14,16H2,(H,28,29);1-14,18H,15-17H2,(H,26,27);1-15H,16H2,(H,24,25);4-8,10-13,15H,2-3,9,14H2,1H3,(H,22,23);3-12H,13-14H2,1-2H3,(H,20,21);2-10,12H,11H2,1H3,(H,19,20);1-11H,(H,16,17)/b12-10+;2*13-11+;12-10+;12-11+;9-7+;11-10+ |
| InChIKey | JHHODLJFSANBHB-KYHKHIFHSA-N |
| XLogP | 31.91 |
| TPSA | 339.28 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 171 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2266.84 |
| LogP ≤ 5 | 31.91 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 15 |