About bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate
bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate (PubChem CID 156597290) has the molecular formula C28H22F24N8P4Ru
and a molecular weight of 1151.46 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate.
Molecular Properties
| Compound Name | bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate |
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| PubChem CID | 156597290 |
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| Molecular Formula | C28H22F24N8P4Ru |
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| Molecular Weight | 1151.46 g/mol |
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| Exact Mass | 1151.96 |
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| IUPAC Name | bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate |
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| SMILES | F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+4].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2ncccn2)nc1 |
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| InChI | InChI=1S/2C10H8N2.C8H6N4.4F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;4*1-7(2,3,4,5)6;/h2*1-8H;1-6H;;;;;/q;;;4*-1;+4 |
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| InChIKey | MZNRTIPXDREAIC-UHFFFAOYSA-N |
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| XLogP | 18.75 |
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| TPSA | 103.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 65 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1151.46 |
| LogP ≤ 5 | 18.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate?
The IUPAC name of bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate (CID 156597290) is bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate.
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+4].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2ncccn2)nc1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate?
The InChIKey is MZNRTIPXDREAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C8H6N4.4F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;4*1-7(2,3,4,5)6;/h2*1-8H;1-6H;;;;;/q;;;4*-1;+4.
What are the key properties of bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate?
bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate has a molecular weight of 1151.46 g/mol, XLogP of 18.75, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate is sourced from PubChem (CID 156597290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).