C155H111Ir2N21O2Pt3-2 — CID 158260893
2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(2,6-diphenylphenol);2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);bis(iridium(3+));1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;4-methyl-2,6-di(phenyl)pyridine;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;platinum(2+) (PubChem CID 158260893) has the molecular formula C155H111Ir2N21O2Pt3-2 and a molecular weight of 3269.41 g/mol. Its IUPAC name is 2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(2,6-diphenylphenol);2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);bis(iridium(3+));1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;4-methyl-2,6-di(phenyl)pyridine;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;platinum(2+).
| Compound Name | 2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(2,6-diphenylphenol);2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);bis(iridium(3+));1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;4-methyl-2,6-di(phenyl)pyridine;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;platinum(2+) |
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| PubChem CID | 158260893 |
| Molecular Formula | C155H111Ir2N21O2Pt3-2 |
| Molecular Weight | 3269.41 g/mol |
| Exact Mass | 3268.74 |
| IUPAC Name | 2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(2,6-diphenylphenol);2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);bis(iridium(3+));1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;4-methyl-2,6-di(phenyl)pyridine;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;platinum(2+) |
| SMILES | Cc1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[Ir+3].[Ir+3].[Pt+2].[Pt].[Pt].[c-]1c(-c2ccccn2)cncc1-c1ccccn1.[c-]1c(-c2ccccn2)cncc1-c1ccccn1.[c-]1ccccc1-c1cccc(-c2ccccn2)n1.c1cc(-c2ccn[n-]2)nc(-c2ccn[n-]2)c1.c1nc[n-]n1 |
| InChI | InChI=1S/C25H17N2.C18H13N.2C18H14O.C17H13N2.C16H11N2.2C15H10N3.C11H7N5.C2H2N3.2Ir.3Pt/c1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16;2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;2*1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;1-2-8(10-4-6-12-15-10)14-9(3-1)11-5-7-13-16-11;1-3-2-5-4-1;;;;;/h2-15H,1H3;2-8,10,12-13H,1H3;2*1-13,19H;2-11H,1H3;1-7,9-12H;2*1-8,10-11H;1-7H;1-2H;;;;;/q-1;-2;;;4*-1;-2;-1;2*+3;;;+2 |
| InChIKey | FAJLBNFGKXQYIE-UHFFFAOYSA-N |
| XLogP | 34.09 |
| TPSA | 314.78 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3269.41 |
| LogP ≤ 5 | 34.09 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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