About [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride
[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride (PubChem CID 51039623) has the molecular formula C26H24Cl2N2P2Ru+2
and a molecular weight of 598.42 g/mol. Its IUPAC name is [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride.
Molecular Properties
| Compound Name | [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride |
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| PubChem CID | 51039623 |
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| Molecular Formula | C26H24Cl2N2P2Ru+2 |
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| Molecular Weight | 598.42 g/mol |
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| Exact Mass | 597.98 |
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| IUPAC Name | [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride |
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| SMILES | NCc1ccccn1.Pc1ccc2ccccc2c1-c1c(P)ccc2ccccc12.[Cl-].[Cl-].[Ru+4] |
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| InChI | InChI=1S/C20H16P2.C6H8N2.2ClH.Ru/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;7-5-6-3-1-2-4-8-6;;;/h1-12H,21-22H2;1-4H,5,7H2;2*1H;/q;;;;+4/p-2 |
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| InChIKey | WOKIOXGGMLAASK-UHFFFAOYSA-L |
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| XLogP | -0.79 |
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| TPSA | 38.91 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 598.42 |
| LogP ≤ 5 | -0.79 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride?
The IUPAC name of [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride (CID 51039623) is [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride.
What is the SMILES notation for [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride?
The canonical SMILES for [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride is NCc1ccccn1.Pc1ccc2ccccc2c1-c1c(P)ccc2ccccc12.[Cl-].[Cl-].[Ru+4].
What is the InChIKey of [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride?
The InChIKey is WOKIOXGGMLAASK-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H16P2.C6H8N2.2ClH.Ru/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;7-5-6-3-1-2-4-8-6;;;/h1-12H,21-22H2;1-4H,5,7H2;2*1H;/q;;;;+4/p-2.
What are the key properties of [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride?
[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride has a molecular weight of 598.42 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;pyridin-2-ylmethanamine;ruthenium(4+);dichloride is sourced from PubChem (CID 51039623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).