europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium

C26H18EuF3N2O2+ — CID 58660895

About europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium

europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium (PubChem CID 58660895) has the molecular formula C26H18EuF3N2O2+ and a molecular weight of 599.40 g/mol. Its IUPAC name is europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium.

Molecular Properties

• Compound Name: europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium
• PubChem CID: 58660895
• Molecular Formula: C26H18EuF3N2O2+
• Molecular Weight: 599.40 g/mol
• Exact Mass: 600.05
• IUPAC Name: europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium
• SMILES: [Eu].[H]/[O+]=C(/C=C(\O)C(F)(F)F)c1cccc2ccccc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C14H9F3O2.C12H8N2.Eu/c15-14(16,17)13(19)8-12(18)11-7-3-5-9-4-1-2-6-10(9)11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8,19H;1-8H;/p+1/b13-8-
• InChIKey: RTWGZLOYFDWHQT-KEZMYAPCSA-O
• XLogP: 6.52
• TPSA: 67.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.40
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium?

The IUPAC name of europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium (CID 58660895) is europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium.

What is the SMILES notation for europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium?

The canonical SMILES for europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium is [Eu].[H]/[O+]=C(/C=C(\O)C(F)(F)F)c1cccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium?

The InChIKey is RTWGZLOYFDWHQT-KEZMYAPCSA-O. The full InChI is InChI=1S/C14H9F3O2.C12H8N2.Eu/c15-14(16,17)13(19)8-12(18)11-7-3-5-9-4-1-2-6-10(9)11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8,19H;1-8H;/p+1/b13-8-;;.

What are the key properties of europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium?

europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium has a molecular weight of 599.40 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene]oxidanium is sourced from PubChem (CID 58660895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).