About 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate
2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate (PubChem CID 11355044) has the molecular formula C36H28F12N6P2Ru-
and a molecular weight of 935.66 g/mol. Its IUPAC name is 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate.
Molecular Properties
| Compound Name | 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate |
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| PubChem CID | 11355044 |
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| Molecular Formula | C36H28F12N6P2Ru- |
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| Molecular Weight | 935.66 g/mol |
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| Exact Mass | 936.07 |
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| IUPAC Name | 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate |
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| SMILES | Cc1cccc(-c2cccc(C)n2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
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| InChI | InChI=1S/2C12H8N2.C12H12N2.2F6P.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;2*1-7(2,3,4,5)6;/h2*1-8H;3-8H,1-2H3;;;/q;;;2*-1;+1 |
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| InChIKey | REALKTXNLGYGNT-UHFFFAOYSA-N |
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| XLogP | 15.09 |
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| TPSA | 77.34 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 57 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 935.66 |
| LogP ≤ 5 | 15.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate?
The IUPAC name of 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate (CID 11355044) is 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate.
What is the SMILES notation for 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate?
The canonical SMILES for 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate is Cc1cccc(-c2cccc(C)n2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate?
The InChIKey is REALKTXNLGYGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.C12H12N2.2F6P.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;2*1-7(2,3,4,5)6;/h2*1-8H;3-8H,1-2H3;;;/q;;;2*-1;+1.
What are the key properties of 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate?
2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate has a molecular weight of 935.66 g/mol, XLogP of 15.09, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate is sourced from PubChem (CID 11355044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).