C105H116Ir5N5Si5-5 — CID 159646597
[4-cyclopentyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;pentakis(iridium);methyl-(4-methyl-6-phenyl-3-pyridinyl)-bis(trideuteriomethyl)silane;trimethyl-[4-(2-methylpropyl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-phenyl-3-pyridinyl]silane;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-2-propan-2-yl-3-pyridinyl]silane (PubChem CID 159646597) has the molecular formula C105H116Ir5N5Si5-5 and a molecular weight of 2555.67 g/mol. Its IUPAC name is [4-cyclopentyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;pentakis(iridium);methyl-(4-methyl-6-phenyl-3-pyridinyl)-bis(trideuteriomethyl)silane;trimethyl-[4-(2-methylpropyl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-phenyl-3-pyridinyl]silane;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-2-propan-2-yl-3-pyridinyl]silane.
| Compound Name | [4-cyclopentyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;pentakis(iridium);methyl-(4-methyl-6-phenyl-3-pyridinyl)-bis(trideuteriomethyl)silane;trimethyl-[4-(2-methylpropyl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-phenyl-3-pyridinyl]silane;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-2-propan-2-yl-3-pyridinyl]silane |
|---|---|
| PubChem CID | 159646597 |
| Molecular Formula | C105H116Ir5N5Si5-5 |
| Molecular Weight | 2555.67 g/mol |
| Exact Mass | 2557.66 |
| IUPAC Name | [4-cyclopentyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]-trimethylsilane;pentakis(iridium);methyl-(4-methyl-6-phenyl-3-pyridinyl)-bis(trideuteriomethyl)silane;trimethyl-[4-(2-methylpropyl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-phenyl-3-pyridinyl]silane;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-2-propan-2-yl-3-pyridinyl]silane |
| SMILES | CC(C)Cc1cc(-c2[c-]ccc3ccccc23)ncc1[Si](C)(C)C.CC(C)c1nc(-c2[c-]ccc3ccccc23)ccc1[Si](C)(C)C.C[Si](C)(C)c1cnc(-c2[c-]ccc3ccccc23)cc1-c1ccccc1.C[Si](C)(C)c1cnc(-c2[c-]ccc3ccccc23)cc1C1CCCC1.[2H]C([2H])([2H])[Si](C)(c1cnc(-c2[c-]cccc2)cc1C)C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C24H22NSi.C23H26NSi.C22H26NSi.C21H24NSi.C15H18NSi.5Ir/c1-26(2,3)24-17-25-23(16-22(24)19-10-5-4-6-11-19)21-15-9-13-18-12-7-8-14-20(18)21;1-25(2,3)23-16-24-22(15-21(23)18-10-4-5-11-18)20-14-8-12-17-9-6-7-13-19(17)20;1-16(2)13-18-14-21(23-15-22(18)24(3,4)5)20-12-8-10-17-9-6-7-11-19(17)20;1-15(2)21-20(23(3,4)5)14-13-19(22-21)18-12-8-10-16-9-6-7-11-17(16)18;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;;/h4-14,16-17H,1-3H3;6-9,12-13,15-16,18H,4-5,10-11H2,1-3H3;6-11,14-16H,13H2,1-5H3;6-11,13-15H,1-5H3;5-8,10-11H,1-4H3;;;;;/q5*-1;;;;;/i;;;;2D3,3D3;;;;; |
| InChIKey | UWXAKUQVVXZBNL-CABRBPTASA-N |
| XLogP | 26.03 |
| TPSA | 64.45 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 120 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2555.67 |
| LogP ≤ 5 | 26.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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