C132H153N11O15Si4+2 — CID 158883604
[7-(dimethylamino)-5,5-dimethyl-10-[2-[methyl(4-oxopentyl)carbamoyl]phenyl]benzo[b][1]benzosilin-3-ylidene]-dimethylazanium;2-[7-(dimethylamino)-5,5-dimethyl-3-oxobenzo[b][1]benzosilin-10-yl]-N-methyl-N-(4-oxopentyl)benzamide;[7-(dimethylamino)-10-[2-[[5-(2,5-dioxocyclopentyl)-4-oxopentyl]-methylcarbamoyl]phenyl]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 4-[[2-[7-(dimethylamino)-5,5-dimethyl-3-oxobenzo[b][1]benzosilin-10-yl]benzoyl]-methylamino]butanoate (PubChem CID 158883604) has the molecular formula C132H153N11O15Si4+2 and a molecular weight of 2246.08 g/mol. Its IUPAC name is [7-(dimethylamino)-5,5-dimethyl-10-[2-[methyl(4-oxopentyl)carbamoyl]phenyl]benzo[b][1]benzosilin-3-ylidene]-dimethylazanium;2-[7-(dimethylamino)-5,5-dimethyl-3-oxobenzo[b][1]benzosilin-10-yl]-N-methyl-N-(4-oxopentyl)benzamide;[7-(dimethylamino)-10-[2-[[5-(2,5-dioxocyclopentyl)-4-oxopentyl]-methylcarbamoyl]phenyl]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 4-[[2-[7-(dimethylamino)-5,5-dimethyl-3-oxobenzo[b][1]benzosilin-10-yl]benzoyl]-methylamino]butanoate.
| Compound Name | [7-(dimethylamino)-5,5-dimethyl-10-[2-[methyl(4-oxopentyl)carbamoyl]phenyl]benzo[b][1]benzosilin-3-ylidene]-dimethylazanium;2-[7-(dimethylamino)-5,5-dimethyl-3-oxobenzo[b][1]benzosilin-10-yl]-N-methyl-N-(4-oxopentyl)benzamide;[7-(dimethylamino)-10-[2-[[5-(2,5-dioxocyclopentyl)-4-oxopentyl]-methylcarbamoyl]phenyl]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 4-[[2-[7-(dimethylamino)-5,5-dimethyl-3-oxobenzo[b][1]benzosilin-10-yl]benzoyl]-methylamino]butanoate |
|---|---|
| PubChem CID | 158883604 |
| Molecular Formula | C132H153N11O15Si4+2 |
| Molecular Weight | 2246.08 g/mol |
| Exact Mass | 2244.06 |
| IUPAC Name | [7-(dimethylamino)-5,5-dimethyl-10-[2-[methyl(4-oxopentyl)carbamoyl]phenyl]benzo[b][1]benzosilin-3-ylidene]-dimethylazanium;2-[7-(dimethylamino)-5,5-dimethyl-3-oxobenzo[b][1]benzosilin-10-yl]-N-methyl-N-(4-oxopentyl)benzamide;[7-(dimethylamino)-10-[2-[[5-(2,5-dioxocyclopentyl)-4-oxopentyl]-methylcarbamoyl]phenyl]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 4-[[2-[7-(dimethylamino)-5,5-dimethyl-3-oxobenzo[b][1]benzosilin-10-yl]benzoyl]-methylamino]butanoate |
| SMILES | CC(=O)CCCN(C)C(=O)c1ccccc1C1=C2C=CC(=O)C=C2[Si](C)(C)c2cc(N(C)C)ccc21.CC(=O)CCCN(C)C(=O)c1ccccc1C1=C2C=CC(=[N+](C)C)C=C2[Si](C)(C)c2cc(N(C)C)ccc21.CN(CCCC(=O)CC1C(=O)CCC1=O)C(=O)c1ccccc1C1=C2C=CC(=[N+](C)C)C=C2[Si](C)(C)c2cc(N(C)C)ccc21.CN(CCCC(=O)ON1C(=O)CCC1=O)C(=O)c1ccccc1C1=C2C=CC(=O)C=C2[Si](C)(C)c2cc(N(C)C)ccc21 |
| InChI | InChI=1S/C37H44N3O4Si.C33H35N3O6Si.C32H40N3O2Si.C30H34N2O3Si/c1-38(2)24-14-16-29-34(21-24)45(6,7)35-22-25(39(3)4)15-17-30(35)36(29)27-12-8-9-13-28(27)37(44)40(5)20-10-11-26(41)23-31-32(42)18-19-33(31)43;1-34(2)21-12-14-25-27(19-21)43(4,5)28-20-22(37)13-15-26(28)32(25)23-9-6-7-10-24(23)33(41)35(3)18-8-11-31(40)42-36-29(38)16-17-30(36)39;1-22(36)12-11-19-35(6)32(37)26-14-10-9-13-25(26)31-27-17-15-23(33(2)3)20-29(27)38(7,8)30-21-24(34(4)5)16-18-28(30)31;1-20(33)10-9-17-32(4)30(35)24-12-8-7-11-23(24)29-25-15-13-21(31(2)3)18-27(25)36(5,6)28-19-22(34)14-16-26(28)29/h8-9,12-17,21-22,31H,10-11,18-20,23H2,1-7H3;6-7,9-10,12-15,19-20H,8,11,16-18H2,1-5H3;9-10,13-18,20-21H,11-12,19H2,1-8H3;7-8,11-16,18-19H,9-10,17H2,1-6H3/q+1;;+1; |
| InChIKey | JDIHDVSIWZGANU-UHFFFAOYSA-N |
| XLogP | 17.34 |
| TPSA | 283.39 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 162 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2246.08 |
| LogP ≤ 5 | 17.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|