C128H112Br7ClN14O5 — CID 157242917
5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;5-bromo-3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;5-bromo-3,3-dimethyl-2-(5-nitro-1H-indol-3-yl)-1,2-dihydroindole;6-bromo-3,3-dimethyl-2-(7-phenylmethoxy-1H-indol-3-yl)-1,2-dihydroindole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;2-(1H-indol-3-yl)-1-methylindole;hydrochloride (PubChem CID 157242917) has the molecular formula C128H112Br7ClN14O5 and a molecular weight of 2521.18 g/mol. Its IUPAC name is 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;5-bromo-3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;5-bromo-3,3-dimethyl-2-(5-nitro-1H-indol-3-yl)-1,2-dihydroindole;6-bromo-3,3-dimethyl-2-(7-phenylmethoxy-1H-indol-3-yl)-1,2-dihydroindole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;2-(1H-indol-3-yl)-1-methylindole;hydrochloride.
| Compound Name | 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;5-bromo-3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;5-bromo-3,3-dimethyl-2-(5-nitro-1H-indol-3-yl)-1,2-dihydroindole;6-bromo-3,3-dimethyl-2-(7-phenylmethoxy-1H-indol-3-yl)-1,2-dihydroindole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;2-(1H-indol-3-yl)-1-methylindole;hydrochloride |
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| PubChem CID | 157242917 |
| Molecular Formula | C128H112Br7ClN14O5 |
| Molecular Weight | 2521.18 g/mol |
| Exact Mass | 2512.29 |
| IUPAC Name | 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;5-bromo-3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;5-bromo-3,3-dimethyl-2-(5-nitro-1H-indol-3-yl)-1,2-dihydroindole;6-bromo-3,3-dimethyl-2-(7-phenylmethoxy-1H-indol-3-yl)-1,2-dihydroindole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;2-(1H-indol-3-yl)-1-methylindole;hydrochloride |
| SMILES | Brc1ccc2c(c1)CC(c1c[nH]c3ccc(Br)cc13)N2.Brc1ccc2c(c1)NC(c1c[nH]c3ccc(Br)cc13)C2.CC1(C)c2cc(Br)ccc2NC1c1c[nH]c2ccc([N+](=O)[O-])cc12.CC1(C)c2ccc(Br)cc2NC1c1c[nH]c2c(OCc3ccccc3)cccc12.Cc1cccc(CC(=O)c2cc3ccc(Br)cc3[nH]2)c1O.Cl.Cn1c(-c2c[nH]c3ccccc23)cc2ccccc21.Cn1cc(C2Nc3ccccc3C2(C)C)c2ccccc21 |
| InChI | InChI=1S/C25H23BrN2O.C19H20N2.C18H16BrN3O2.C17H14BrNO2.C17H14N2.2C16H12Br2N2.ClH/c1-25(2)20-12-11-17(26)13-21(20)28-24(25)19-14-27-23-18(19)9-6-10-22(23)29-15-16-7-4-3-5-8-16;1-19(2)15-9-5-6-10-16(15)20-18(19)14-12-21(3)17-11-7-4-8-13(14)17;1-18(2)14-7-10(19)3-5-16(14)21-17(18)13-9-20-15-6-4-11(22(23)24)8-12(13)15;1-10-3-2-4-12(17(10)21)8-16(20)15-7-11-5-6-13(18)9-14(11)19-15;1-19-16-9-5-2-6-12(16)10-17(19)14-11-18-15-8-4-3-7-13(14)15;17-10-1-3-14-9(5-10)6-16(20-14)13-8-19-15-4-2-11(18)7-12(13)15;17-10-3-4-14-12(6-10)13(8-19-14)16-5-9-1-2-11(18)7-15(9)20-16;/h3-14,24,27-28H,15H2,1-2H3;4-12,18,20H,1-3H3;3-9,17,20-21H,1-2H3;2-7,9,19,21H,8H2,1H3;2-11,18H,1H3;1-5,7-8,16,19-20H,6H2;1-4,6-8,16,19-20H,5H2;1H |
| InChIKey | YDXAHLVNNWNFLR-UHFFFAOYSA-N |
| XLogP | 36.78 |
| TPSA | 254.42 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2521.18 |
| LogP ≤ 5 | 36.78 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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