disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol

C36H25EuF3N4Na2O8S2 — CID 58667436

About disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol

disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol (PubChem CID 58667436) has the molecular formula C36H25EuF3N4Na2O8S2 and a molecular weight of 960.69 g/mol. Its IUPAC name is disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol.

Molecular Properties

• Compound Name: disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
• PubChem CID: 58667436
• Molecular Formula: C36H25EuF3N4Na2O8S2
• Molecular Weight: 960.69 g/mol
• Exact Mass: 961.01
• IUPAC Name: disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
• SMILES: O=S([O-])Oc1ccc(-c2ccnc3c2ccc2c(-c4ccc(OS(=O)[O-])cn4)ccnc23)nc1.OC(CC(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].[Na+].[Na+]
• InChI: InChI=1S/C22H14N4O6S2.C14H13F3O2.Eu.2Na/c27-33(28)31-13-1-5-19(25-11-13)15-7-9-23-21-17(15)3-4-18-16(8-10-24-22(18)21)20-6-2-14(12-26-20)32-34(29)30;15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;;;/h1-12H,(H,27,28)(H,29,30);1-7,12-13,18-19H,8H2;;;/q;;;2*+1/p-2
• InChIKey: LOZNEMJUCGTEQS-UHFFFAOYSA-L
• XLogP: 0.45
• TPSA: 190.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	960.69
LogP ≤ 5	0.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?

The IUPAC name of disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol (CID 58667436) is disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol.

What is the SMILES notation for disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?

The canonical SMILES for disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol is O=S([O-])Oc1ccc(-c2ccnc3c2ccc2c(-c4ccc(OS(=O)[O-])cn4)ccnc23)nc1.OC(CC(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].[Na+].[Na+].

What is the InChIKey of disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?

The InChIKey is LOZNEMJUCGTEQS-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H14N4O6S2.C14H13F3O2.Eu.2Na/c27-33(28)31-13-1-5-19(25-11-13)15-7-9-23-21-17(15)3-4-18-16(8-10-24-22(18)21)20-6-2-14(12-26-20)32-34(29)30;15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;;;/h1-12H,(H,27,28)(H,29,30);1-7,12-13,18-19H,8H2;;;/q;;;2*+1/p-2.

What are the key properties of disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?

disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol has a molecular weight of 960.69 g/mol, XLogP of 0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;europium;[6-[7-(5-sulfinatooxy-2-pyridinyl)-1,10-phenanthrolin-4-yl]-3-pyridinyl] sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol is sourced from PubChem (CID 58667436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).