About 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium)
2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium) (PubChem CID 158461286) has the molecular formula C34H58N3Y3-3
and a molecular weight of 775.58 g/mol. Its IUPAC name is 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium).
Molecular Properties
| Compound Name | 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium) |
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| PubChem CID | 158461286 |
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| Molecular Formula | C34H58N3Y3-3 |
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| Molecular Weight | 775.58 g/mol |
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| Exact Mass | 775.18 |
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| IUPAC Name | 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium) |
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| SMILES | C.CC.CC.CC.CC(C)(C)c1c[c-]ccn1.CC(C)(C)c1c[c-]ncc1.CC(C)(C)c1ccc[c-]n1.[Y].[Y].[Y] |
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| InChI | InChI=1S/3C9H12N.3C2H6.CH4.3Y/c1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-6-4-5-7-10-8;3*1-2;;;;/h4-6H,1-3H3;5-7H,1-3H3;4-6H,1-3H3;3*1-2H3;1H4;;;/q3*-1;;;;;;; |
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| InChIKey | FQHBUJXERQYICW-UHFFFAOYSA-N |
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| XLogP | 10.25 |
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| TPSA | 38.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 775.58 |
| LogP ≤ 5 | 10.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Analyze 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium) with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium)?
The IUPAC name of 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium) (CID 158461286) is 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium).
What is the SMILES notation for 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium)?
The canonical SMILES for 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium) is C.CC.CC.CC.CC(C)(C)c1c[c-]ccn1.CC(C)(C)c1c[c-]ncc1.CC(C)(C)c1ccc[c-]n1.[Y].[Y].[Y].
What is the InChIKey of 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium)?
The InChIKey is FQHBUJXERQYICW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H12N.3C2H6.CH4.3Y/c1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-6-4-5-7-10-8;3*1-2;;;;/h4-6H,1-3H3;5-7H,1-3H3;4-6H,1-3H3;3*1-2H3;1H4;;;/q3*-1;;;;;;;.
What are the key properties of 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium)?
2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium) has a molecular weight of 775.58 g/mol, XLogP of 10.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium) is sourced from PubChem (CID 158461286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).