C73H89N3O2S2Si2 — CID 158602265
methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane (PubChem CID 158602265) has the molecular formula C73H89N3O2S2Si2 and a molecular weight of 1160.84 g/mol. Its IUPAC name is methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane.
| Compound Name | methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane |
|---|---|
| PubChem CID | 158602265 |
| Molecular Formula | C73H89N3O2S2Si2 |
| Molecular Weight | 1160.84 g/mol |
| Exact Mass | 1159.59 |
| IUPAC Name | methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane |
| SMILES | C.C.COc1ccc(-c2c3c(c(-c4cccs4)c4c2ccc2c4ccn2[Si](C(C)C)(C(C)C)C(C)C)CCCC3)cc1.COc1ccc(-c2c3cnccc3c(-c3cccs3)c3c2ccc2c3ccn2[Si](C(C)C)(C(C)C)C(C)C)cc1 |
| InChI | InChI=1S/C36H43NOSSi.C35H38N2OSSi.2CH4/c1-23(2)40(24(3)4,25(5)6)37-21-20-30-32(37)19-18-31-34(26-14-16-27(38-7)17-15-26)28-11-8-9-12-29(28)36(35(30)31)33-13-10-22-39-33;1-22(2)40(23(3)4,24(5)6)37-19-17-28-31(37)15-14-29-33(25-10-12-26(38-7)13-11-25)30-21-36-18-16-27(30)35(34(28)29)32-9-8-20-39-32;;/h10,13-25H,8-9,11-12H2,1-7H3;8-24H,1-7H3;2*1H4 |
| InChIKey | HVUAGTUZCYBDJA-UHFFFAOYSA-N |
| XLogP | 23.14 |
| TPSA | 41.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 82 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1160.84 |
| LogP ≤ 5 | 23.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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