europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol

C32H26EuF3N2O8P2S+ — CID 58667404

About europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol

europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol (PubChem CID 58667404) has the molecular formula C32H26EuF3N2O8P2S+ and a molecular weight of 869.54 g/mol. Its IUPAC name is europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol.

Molecular Properties

• Compound Name: europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
• PubChem CID: 58667404
• Molecular Formula: C32H26EuF3N2O8P2S+
• Molecular Weight: 869.54 g/mol
• Exact Mass: 870.00
• IUPAC Name: europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
• SMILES: O=[P+](O)Oc1ccc(-c2ccnc3c2ccc2c(-c4ccc(P(=O)(O)O)cc4)ccnc23)cc1.OC(CC(O)C(F)(F)F)c1cccs1.[Eu]
• InChI: InChI=1S/C24H16N2O6P2.C8H9F3O2S.Eu/c27-33(28)32-17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(29,30)31;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-14H,(H2-,27,28,29,30,31);1-3,5,7,12-13H,4H2;/p+1
• InChIKey: HUZLGHVRZHFIML-UHFFFAOYSA-O
• XLogP: 7.04
• TPSA: 170.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.54
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?

The IUPAC name of europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol (CID 58667404) is europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol.

What is the SMILES notation for europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?

The canonical SMILES for europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol is O=[P+](O)Oc1ccc(-c2ccnc3c2ccc2c(-c4ccc(P(=O)(O)O)cc4)ccnc23)cc1.OC(CC(O)C(F)(F)F)c1cccs1.[Eu].

What is the InChIKey of europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?

The InChIKey is HUZLGHVRZHFIML-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H16N2O6P2.C8H9F3O2S.Eu/c27-33(28)32-17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(29,30)31;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-14H,(H2-,27,28,29,30,31);1-3,5,7,12-13H,4H2;/p+1.

What are the key properties of europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?

europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol has a molecular weight of 869.54 g/mol, XLogP of 7.04, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol is sourced from PubChem (CID 58667404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).