About bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139072303) has the molecular formula C46H32Br4F12N8P2Ru
and a molecular weight of 1407.43 g/mol. Its IUPAC name is bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.
Molecular Properties
| Compound Name | bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate |
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| PubChem CID | 139072303 |
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| Molecular Formula | C46H32Br4F12N8P2Ru |
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| Molecular Weight | 1407.43 g/mol |
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| Exact Mass | 1403.78 |
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| IUPAC Name | bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate |
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| SMILES | Brc1cc(Br)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Brc1cc(Br)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2] |
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| InChI | InChI=1S/2C21H13Br2N3.2C2H3N.2F6P.Ru/c2*22-16-9-14(10-17(23)13-16)15-11-20(18-5-1-3-7-24-18)26-21(12-15)19-6-2-4-8-25-19;2*1-2-3;2*1-7(2,3,4,5)6;/h2*1-13H;2*1H3;;;/q;;;;2*-1;+2 |
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| InChIKey | JNPKLSHCZVRULP-UHFFFAOYSA-N |
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| XLogP | 20.62 |
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| TPSA | 124.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 73 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1407.43 |
| LogP ≤ 5 | 20.62 |
| 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(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (CID 139072303) is bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is Brc1cc(Br)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Brc1cc(Br)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].
What is the InChIKey of bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is JNPKLSHCZVRULP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H13Br2N3.2C2H3N.2F6P.Ru/c2*22-16-9-14(10-17(23)13-16)15-11-20(18-5-1-3-7-24-18)26-21(12-15)19-6-2-4-8-25-19;2*1-2-3;2*1-7(2,3,4,5)6;/h2*1-13H;2*1H3;;;/q;;;;2*-1;+2.
What are the key properties of bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1407.43 g/mol, XLogP of 20.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139072303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).