About 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine
2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine (PubChem CID 161459255) has the molecular formula C53H54N4O2OsP2+2
and a molecular weight of 1031.22 g/mol. Its IUPAC name is 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine.
Molecular Properties
| Compound Name | 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine |
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| PubChem CID | 161459255 |
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| Molecular Formula | C53H54N4O2OsP2+2 |
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| Molecular Weight | 1031.22 g/mol |
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| Exact Mass | 1032.33 |
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| IUPAC Name | 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine |
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| SMILES | C.C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CCC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1 |
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| InChI | InChI=1S/C26H22P2.C16H18N2O2.C10H8N2.CH4.Os/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-12-4-6-17-14(10-12)15-11-13(5-7-18-15)2-3-16-19-8-9-20-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-22H;4-7,10-11,16H,2-3,8-9H2,1H3;1-8H;1H4;/p+2 |
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| InChIKey | AOIYQNXFMKXZRI-UHFFFAOYSA-P |
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| XLogP | 10.72 |
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| TPSA | 70.02 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 62 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1031.22 |
| LogP ≤ 5 | 10.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Analyze 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine?
The IUPAC name of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine (CID 161459255) is 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine?
The canonical SMILES for 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine is C.C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CCC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine?
The InChIKey is AOIYQNXFMKXZRI-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H22P2.C16H18N2O2.C10H8N2.CH4.Os/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-12-4-6-17-14(10-12)15-11-13(5-7-18-15)2-3-16-19-8-9-20-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-22H;4-7,10-11,16H,2-3,8-9H2,1H3;1-8H;1H4;/p+2.
What are the key properties of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine?
2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine has a molecular weight of 1031.22 g/mol, XLogP of 10.72, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine is sourced from PubChem (CID 161459255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).