disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol

C50H35EuF3N2Na2O8S2 — CID 58667418

About disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol

disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol (PubChem CID 58667418) has the molecular formula C50H35EuF3N2Na2O8S2 and a molecular weight of 1110.91 g/mol. Its IUPAC name is disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol.

Molecular Properties

• Compound Name: disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
• PubChem CID: 58667418
• Molecular Formula: C50H35EuF3N2Na2O8S2
• Molecular Weight: 1110.91 g/mol
• Exact Mass: 1111.08
• IUPAC Name: disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
• SMILES: O=S([O-])Oc1ccc(-c2cc(-c3ccccc3)nc3c2ccc2c(-c4ccc(OS(=O)[O-])cc4)cc(-c4ccccc4)nc23)cc1.OC(CC(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].[Na+].[Na+]
• InChI: InChI=1S/C36H24N2O6S2.C14H13F3O2.Eu.2Na/c39-45(40)43-27-15-11-23(12-16-27)31-21-33(25-7-3-1-4-8-25)37-35-29(31)19-20-30-32(24-13-17-28(18-14-24)44-46(41)42)22-34(38-36(30)35)26-9-5-2-6-10-26;15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;;;/h1-22H,(H,39,40)(H,41,42);1-7,12-13,18-19H,8H2;;;/q;;;2*+1/p-2
• InChIKey: WNMCEZHJBFOJJH-UHFFFAOYSA-L
• XLogP: 4.99
• TPSA: 164.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1110.91
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?

The IUPAC name of disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol (CID 58667418) is disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol.

What is the SMILES notation for disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?

The canonical SMILES for disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol is O=S([O-])Oc1ccc(-c2cc(-c3ccccc3)nc3c2ccc2c(-c4ccc(OS(=O)[O-])cc4)cc(-c4ccccc4)nc23)cc1.OC(CC(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].[Na+].[Na+].

What is the InChIKey of disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?

The InChIKey is WNMCEZHJBFOJJH-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H24N2O6S2.C14H13F3O2.Eu.2Na/c39-45(40)43-27-15-11-23(12-16-27)31-21-33(25-7-3-1-4-8-25)37-35-29(31)19-20-30-32(24-13-17-28(18-14-24)44-46(41)42)22-34(38-36(30)35)26-9-5-2-6-10-26;15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;;;/h1-22H,(H,39,40)(H,41,42);1-7,12-13,18-19H,8H2;;;/q;;;2*+1/p-2.

What are the key properties of disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?

disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol has a molecular weight of 1110.91 g/mol, XLogP of 4.99, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol is sourced from PubChem (CID 58667418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).