europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate)

C43H26EuF9N2O6 — CID 139137236

About europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate)

europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate) (PubChem CID 139137236) has the molecular formula C43H26EuF9N2O6 and a molecular weight of 989.63 g/mol. Its IUPAC name is europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate).

Molecular Properties

• Compound Name: europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate)
• PubChem CID: 139137236
• Molecular Formula: C43H26EuF9N2O6
• Molecular Weight: 989.63 g/mol
• Exact Mass: 990.09
• IUPAC Name: europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate)
• SMILES: O=C1/C(=C(\[O-])C(F)(F)F)Cc2ccccc21.O=C1/C(=C(\[O-])C(F)(F)F)Cc2ccccc21.O=C1/C(=C(\[O-])C(F)(F)F)Cc2ccccc21.[Eu+3].c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/3C11H7F3O2.C10H8N2.Eu/c3*12-11(13,14)10(16)8-5-6-3-1-2-4-7(6)9(8)15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-4,16H,5H2;1-8H;/q;;;;+3/p-3/b3*10-8-
• InChIKey: DSHRUWNXKATAPQ-JLJUMPQCSA-K
• XLogP: 6.95
• TPSA: 146.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.63
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate)?

The IUPAC name of europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate) (CID 139137236) is europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate).

What is the SMILES notation for europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate)?

The canonical SMILES for europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate) is O=C1/C(=C(\[O-])C(F)(F)F)Cc2ccccc21.O=C1/C(=C(\[O-])C(F)(F)F)Cc2ccccc21.O=C1/C(=C(\[O-])C(F)(F)F)Cc2ccccc21.[Eu+3].c1ccc(-c2ccccn2)nc1.

What is the InChIKey of europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate)?

The InChIKey is DSHRUWNXKATAPQ-JLJUMPQCSA-K. The full InChI is InChI=1S/3C11H7F3O2.C10H8N2.Eu/c3*12-11(13,14)10(16)8-5-6-3-1-2-4-7(6)9(8)15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-4,16H,5H2;1-8H;/q;;;;+3/p-3/b3*10-8-;;.

What are the key properties of europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate)?

europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate) has a molecular weight of 989.63 g/mol, XLogP of 6.95, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate) is sourced from PubChem (CID 139137236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).