trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol

C32H22EuF3N2Na3O11S4 — CID 58667402

About trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol

trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol (PubChem CID 58667402) has the molecular formula C32H22EuF3N2Na3O11S4 and a molecular weight of 1016.73 g/mol. Its IUPAC name is trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol.

Molecular Properties

• Compound Name: trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
• PubChem CID: 58667402
• Molecular Formula: C32H22EuF3N2Na3O11S4
• Molecular Weight: 1016.73 g/mol
• Exact Mass: 1016.90
• IUPAC Name: trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
• SMILES: O=S([O-])Oc1ccc(-c2ccnc3c2ccc2c(-c4ccc(OS(=O)[O-])cc4S(=O)(=O)[O-])ccnc23)cc1.OC(CC(O)C(F)(F)F)c1cccs1.[Eu].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C24H16N2O9S3.C8H9F3O2S.Eu.3Na/c27-36(28)34-15-3-1-14(2-4-15)17-9-11-25-23-20(17)7-8-21-18(10-12-26-24(21)23)19-6-5-16(35-37(29)30)13-22(19)38(31,32)33;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;;;/h1-13H,(H,27,28)(H,29,30)(H,31,32,33);1-3,5,7,12-13H,4H2;;;;/q;;;3*+1/p-3
• InChIKey: UTDIDCIZFXNRRS-UHFFFAOYSA-K
• XLogP: -3.53
• TPSA: 222.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.73
LogP ≤ 5	-3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?

The IUPAC name of trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol (CID 58667402) is trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol.

What is the SMILES notation for trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?

The canonical SMILES for trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol is O=S([O-])Oc1ccc(-c2ccnc3c2ccc2c(-c4ccc(OS(=O)[O-])cc4S(=O)(=O)[O-])ccnc23)cc1.OC(CC(O)C(F)(F)F)c1cccs1.[Eu].[Na+].[Na+].[Na+].

What is the InChIKey of trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?

The InChIKey is UTDIDCIZFXNRRS-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H16N2O9S3.C8H9F3O2S.Eu.3Na/c27-36(28)34-15-3-1-14(2-4-15)17-9-11-25-23-20(17)7-8-21-18(10-12-26-24(21)23)19-6-5-16(35-37(29)30)13-22(19)38(31,32)33;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;;;/h1-13H,(H,27,28)(H,29,30)(H,31,32,33);1-3,5,7,12-13H,4H2;;;;/q;;;3*+1/p-3.

What are the key properties of trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?

trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol has a molecular weight of 1016.73 g/mol, XLogP of -3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol is sourced from PubChem (CID 58667402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).