C214H205Br2Cl2N7O23 — CID 160992752
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole;2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one;ethyl 2-[4-(chloromethyl)phenoxy]acetate;ethyl 2-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-1-yl]methyl]phenoxy]acetate;2-(4-hydroxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole;2-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-1-yl]methyl]phenoxy]ethanol;(4-phenylmethoxyphenyl)azanium;chloride (PubChem CID 160992752) has the molecular formula C214H205Br2Cl2N7O23 and a molecular weight of 3473.73 g/mol. Its IUPAC name is 1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole;2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one;ethyl 2-[4-(chloromethyl)phenoxy]acetate;ethyl 2-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-1-yl]methyl]phenoxy]acetate;2-(4-hydroxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole;2-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-1-yl]methyl]phenoxy]ethanol;(4-phenylmethoxyphenyl)azanium;chloride.
| Compound Name | 1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole;2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one;ethyl 2-[4-(chloromethyl)phenoxy]acetate;ethyl 2-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-1-yl]methyl]phenoxy]acetate;2-(4-hydroxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole;2-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-1-yl]methyl]phenoxy]ethanol;(4-phenylmethoxyphenyl)azanium;chloride |
|---|---|
| PubChem CID | 160992752 |
| Molecular Formula | C214H205Br2Cl2N7O23 |
| Molecular Weight | 3473.73 g/mol |
| Exact Mass | 3468.28 |
| IUPAC Name | 1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole;2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one;ethyl 2-[4-(chloromethyl)phenoxy]acetate;ethyl 2-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-1-yl]methyl]phenoxy]acetate;2-(4-hydroxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole;2-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-1-yl]methyl]phenoxy]ethanol;(4-phenylmethoxyphenyl)azanium;chloride |
| SMILES | CC(Br)C(=O)c1ccc(OCc2ccccc2)cc1.CCOC(=O)COc1ccc(CCl)cc1.CCOC(=O)COc1ccc(Cn2c(-c3ccc(OCc4ccccc4)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12.Cc1c(-c2ccc(OCc3ccccc3)cc2)[nH]c2ccc(OCc3ccccc3)cc12.Cc1c(-c2ccc(OCc3ccccc3)cc2)n(Cc2ccc(OCCBr)cc2)c2ccc(OCc3ccccc3)cc12.Cc1c(-c2ccc(OCc3ccccc3)cc2)n(Cc2ccc(OCCO)cc2)c2ccc(OCc3ccccc3)cc12.[Cl-].[NH3+]c1ccc(OCc2ccccc2)cc1 |
| InChI | InChI=1S/C40H37NO5.C38H34BrNO3.C38H35NO4.C29H32N2O3.C29H25NO2.C16H15BrO2.C13H13NO.C11H13ClO3.ClH/c1-3-43-39(42)28-46-34-18-14-30(15-19-34)25-41-38-23-22-36(45-27-32-12-8-5-9-13-32)24-37(38)29(2)40(41)33-16-20-35(21-17-33)44-26-31-10-6-4-7-11-31;1-28-36-24-35(43-27-31-10-6-3-7-11-31)20-21-37(36)40(25-29-12-16-33(17-13-29)41-23-22-39)38(28)32-14-18-34(19-15-32)42-26-30-8-4-2-5-9-30;1-28-36-24-35(43-27-31-10-6-3-7-11-31)20-21-37(36)39(25-29-12-16-33(17-13-29)41-23-22-40)38(28)32-14-18-34(19-15-32)42-26-30-8-4-2-5-9-30;1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30;1-21-27-18-26(32-20-23-10-6-3-7-11-23)16-17-28(27)30-29(21)24-12-14-25(15-13-24)31-19-22-8-4-2-5-9-22;1-12(17)16(18)14-7-9-15(10-8-14)19-11-13-5-3-2-4-6-13;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-2-14-11(13)8-15-10-5-3-9(7-12)4-6-10;/h4-24H,3,25-28H2,1-2H3;2-21,24H,22-23,25-27H2,1H3;2-21,24,40H,22-23,25-27H2,1H3;5-14,19,32-33H,2-4,15-18,20H2,1H3;2-18,30H,19-20H2,1H3;2-10,12H,11H2,1H3;1-9H,10,14H2;3-6H,2,7-8H2,1H3;1H |
| InChIKey | ZTHDIYCSWWOEKA-UHFFFAOYSA-N |
| XLogP | 45.54 |
| TPSA | 335.20 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 248 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3473.73 |
| LogP ≤ 5 | 45.54 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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