C186H148N16O17S — CID 160661657
1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-phenylpropan-2-one;1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one (PubChem CID 160661657) has the molecular formula C186H148N16O17S and a molecular weight of 2911.39 g/mol. Its IUPAC name is 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-phenylpropan-2-one;1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one.
| Compound Name | 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-phenylpropan-2-one;1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one |
|---|---|
| PubChem CID | 160661657 |
| Molecular Formula | C186H148N16O17S |
| Molecular Weight | 2911.39 g/mol |
| Exact Mass | 2909.09 |
| IUPAC Name | 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;8,9-bis(furan-2-yl)-4-[(4-methylphenyl)methyl]-3a,4,5,11b-tetrahydro-3H-indeno[4,5-g]quinoxaline;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;2-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-phenylpropan-2-one;1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one |
| SMILES | Cc1ccc(CC(=O)Cc2cc3nc(-c4ccco4)c(-c4ccco4)nc3c3ccccc23)cc1.Cc1ccc(CC(=S)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC2Cc3cc4nc(-c5ccco5)c(-c5ccco5)nc4cc3C3C=CCC23)cc1.Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.Cc1ccc2c(c1)CCN2C(=O)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.Cc1nc2ccc(CC(=O)Cc3ccccc3)cc2nc1C.O=C(Cc1ccccc1)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 |
| InChI | InChI=1S/C31H26N2O2.C30H22N2O3.C28H23N3O3.C27H21N3O3.C26H20N2O2S.C25H18N2O3.C19H18N2O/c1-19-9-11-20(12-10-19)15-21-16-22-17-26-27(18-25(22)24-6-2-5-23(21)24)33-31(29-8-4-14-35-29)30(32-26)28-7-3-13-34-28;1-19-10-12-20(13-11-19)16-22(33)17-21-18-25-28(24-7-3-2-6-23(21)24)32-30(27-9-5-15-35-27)29(31-25)26-8-4-14-34-26;1-18-8-11-23-20(15-18)5-2-12-31(23)26(32)17-19-9-10-21-22(16-19)30-28(25-7-4-14-34-25)27(29-21)24-6-3-13-33-24;1-17-6-9-22-19(14-17)10-11-30(22)25(31)16-18-7-8-20-21(15-18)29-27(24-5-3-13-33-24)26(28-20)23-4-2-12-32-23;1-17-6-8-18(9-7-17)14-20(31)15-19-10-11-21-22(16-19)28-26(24-5-3-13-30-24)25(27-21)23-4-2-12-29-23;28-19(14-17-6-2-1-3-7-17)15-18-10-11-20-21(16-18)27-25(23-9-5-13-30-23)24(26-20)22-8-4-12-29-22;1-13-14(2)21-19-12-16(8-9-18(19)20-13)11-17(22)10-15-6-4-3-5-7-15/h2-4,6-14,17-18,21,23-24H,5,15-16H2,1H3;2-15,18H,16-17H2,1H3;3-4,6-11,13-16H,2,5,12,17H2,1H3;2-9,12-15H,10-11,16H2,1H3;2-13,16H,14-15H2,1H3;1-13,16H,14-15H2;3-9,12H,10-11H2,1-2H3 |
| InChIKey | RLTBMICWMUAJDR-UHFFFAOYSA-N |
| XLogP | 41.79 |
| TPSA | 429.97 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 220 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2911.39 |
| LogP ≤ 5 | 41.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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