C169H161Br7N26O16 — CID 172963371
5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-propylhexoxyimino)indol-2-yl]-1H-indol-2-ol (PubChem CID 172963371) has the molecular formula C169H161Br7N26O16 and a molecular weight of 3371.64 g/mol. Its IUPAC name is 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-propylhexoxyimino)indol-2-yl]-1H-indol-2-ol.
| Compound Name | 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-propylhexoxyimino)indol-2-yl]-1H-indol-2-ol |
|---|---|
| PubChem CID | 172963371 |
| Molecular Formula | C169H161Br7N26O16 |
| Molecular Weight | 3371.64 g/mol |
| Exact Mass | 3362.69 |
| IUPAC Name | 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-propylhexoxyimino)indol-2-yl]-1H-indol-2-ol |
| SMILES | CC1CCCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCC(CCC)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21)Cc1ccccn1.O=C1c2ccccc2C(=O)N1CCCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCCC1.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCCC1 |
| InChI | InChI=1S/C27H19BrN4O4.C25H22BrN5O2.C25H26BrN3O2.C25H28BrN3O2.C24H24BrN3O2.C23H23BrN4O2.C20H19BrN4O2/c28-15-10-11-21-19(14-15)22(25(33)30-21)24-23(18-8-3-4-9-20(18)29-24)31-36-13-5-12-32-26(34)16-6-1-2-7-17(16)27(32)35;1-31(15-17-6-4-5-11-27-17)12-13-33-30-23-18-7-2-3-8-20(18)28-24(23)22-19-14-16(26)9-10-21(19)29-25(22)32;1-15-5-4-6-16(13-15)11-12-31-29-23-18-7-2-3-8-20(18)27-24(23)22-19-14-17(26)9-10-21(19)28-25(22)30;1-3-7-16(8-4-2)13-14-31-29-23-18-9-5-6-10-20(18)27-24(23)22-19-15-17(26)11-12-21(19)28-25(22)30;25-16-10-11-20-18(14-16)21(24(29)27-20)23-22(17-8-4-5-9-19(17)26-23)28-30-13-12-15-6-2-1-3-7-15;24-15-8-9-19-17(14-15)20(23(29)26-19)22-21(16-6-2-3-7-18(16)25-22)27-30-13-12-28-10-4-1-5-11-28;1-25(2)9-10-27-24-18-13-5-3-4-6-15(13)22-19(18)17-14-11-12(21)7-8-16(14)23-20(17)26/h1-4,6-11,14,30,33H,5,12-13H2;2-11,14,29,32H,12-13,15H2,1H3;2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;5-6,9-12,15-16,28,30H,3-4,7-8,13-14H2,1-2H3;4-5,8-11,14-15,27,29H,1-3,6-7,12-13H2;2-3,6-9,14,26,29H,1,4-5,10-13H2;3-8,11,23,26H,9-10H2,1-2H3/b31-23+;;;;28-22+;27-21+; |
| InChIKey | AUODCZPUKAJADX-NPOFWYEESA-N |
| XLogP | 39.49 |
| TPSA | 549.78 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 218 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3371.64 |
| LogP ≤ 5 | 39.49 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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