europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)

C45H29EuF12NO8- — CID 11979537

IUPACeuropium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
SMILESO=C([CH-]C(=O)C(F)(F)F)c1ccccc1.O=C([CH-]C(=O)C(F)(F)F)c1ccccc1.O=C([CH-]C(=O)C(F)(F)F)c1ccccc1.O=C([CH-]C(=O)C(F)(F)F)c1ccccc1.[Eu+3].c1ccncc1
InChIInChI=1S/4C10H6F3O2.C5H5N.Eu/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-2-4-6-5-3-1;/h4*1-6H;1-5H;/q4*-1;;+3
InChIKeyQJHXRDPEDNNDLD-UHFFFAOYSA-N
MW1091.67 g/mol
LogP9.90
Rot. Bonds12

About europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)

europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione) (PubChem CID 11979537) has the molecular formula C45H29EuF12NO8- and a molecular weight of 1091.67 g/mol. Its IUPAC name is europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione).

Molecular Properties

Compound Nameeuropium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
PubChem CID11979537
Molecular FormulaC45H29EuF12NO8-
Molecular Weight1091.67 g/mol
Exact Mass1092.09
IUPAC Nameeuropium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
SMILESO=C([CH-]C(=O)C(F)(F)F)c1ccccc1.O=C([CH-]C(=O)C(F)(F)F)c1ccccc1.O=C([CH-]C(=O)C(F)(F)F)c1ccccc1.O=C([CH-]C(=O)C(F)(F)F)c1ccccc1.[Eu+3].c1ccncc1
InChIInChI=1S/4C10H6F3O2.C5H5N.Eu/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-2-4-6-5-3-1;/h4*1-6H;1-5H;/q4*-1;;+3
InChIKeyQJHXRDPEDNNDLD-UHFFFAOYSA-N
XLogP9.90
TPSA149.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.67
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)?
The IUPAC name of europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione) (CID 11979537) is europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione).
What is the SMILES notation for europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)?
The canonical SMILES for europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione) is O=C([CH-]C(=O)C(F)(F)F)c1ccccc1.O=C([CH-]C(=O)C(F)(F)F)c1ccccc1.O=C([CH-]C(=O)C(F)(F)F)c1ccccc1.O=C([CH-]C(=O)C(F)(F)F)c1ccccc1.[Eu+3].c1ccncc1.
What is the InChIKey of europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)?
The InChIKey is QJHXRDPEDNNDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H6F3O2.C5H5N.Eu/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-2-4-6-5-3-1;/h4*1-6H;1-5H;/q4*-1;;+3.
What are the key properties of europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)?
europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione) has a molecular weight of 1091.67 g/mol, XLogP of 9.90, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);pyridine;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione) is sourced from PubChem (CID 11979537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).