About bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate
bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate (PubChem CID 139174010) has the molecular formula C26H20F12N6P2RuS3
and a molecular weight of 903.68 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate.
Molecular Properties
| Compound Name | bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate |
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| PubChem CID | 139174010 |
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| Molecular Formula | C26H20F12N6P2RuS3 |
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| Molecular Weight | 903.68 g/mol |
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| Exact Mass | 903.92 |
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| IUPAC Name | bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate |
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| SMILES | F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(Sc2nccs2)n1 |
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| InChI | InChI=1S/2C10H8N2.C6H4N2S3.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-5(7-1)11-6-8-2-4-10-6;2*1-7(2,3,4,5)6;/h2*1-8H;1-4H;;;/q;;;2*-1;+2 |
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| InChIKey | ACFBNORBKFCXFP-UHFFFAOYSA-N |
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| XLogP | 13.80 |
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| TPSA | 77.34 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 903.68 |
| LogP ≤ 5 | 13.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate?
The IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate (CID 139174010) is bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate.
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(Sc2nccs2)n1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate?
The InChIKey is ACFBNORBKFCXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C6H4N2S3.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-5(7-1)11-6-8-2-4-10-6;2*1-7(2,3,4,5)6;/h2*1-8H;1-4H;;;/q;;;2*-1;+2.
What are the key properties of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate?
bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate has a molecular weight of 903.68 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate is sourced from PubChem (CID 139174010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).