disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol

C30H23EuF3N2Na2O8S2 — CID 58667431

IUPACdisodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
SMILESO=S(=O)([O-])/C=C\c1ccnc2c1ccc1c(/C=C\S(=O)(=O)[O-])ccnc12.OC(CC(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].[Na+].[Na+]
InChIInChI=1S/C16H12N2O6S2.C14H13F3O2.Eu.2Na/c19-25(20,21)9-5-11-3-7-17-15-13(11)1-2-14-12(4-8-18-16(14)15)6-10-26(22,23)24;15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;;;/h1-10H,(H,19,20,21)(H,22,23,24);1-7,12-13,18-19H,8H2;;;/q;;;2*+1/p-2/b9-5-,10-6-;;;;
InChIKeyJHJNVKHSZMYKIQ-PWUTVFOPSA-L
MW858.59 g/mol
LogP-0.99
Rot. Bonds7

About disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol

disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol (PubChem CID 58667431) has the molecular formula C30H23EuF3N2Na2O8S2 and a molecular weight of 858.59 g/mol. Its IUPAC name is disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol.

Molecular Properties

Compound Namedisodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
PubChem CID58667431
Molecular FormulaC30H23EuF3N2Na2O8S2
Molecular Weight858.59 g/mol
Exact Mass858.99
IUPAC Namedisodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
SMILESO=S(=O)([O-])/C=C\c1ccnc2c1ccc1c(/C=C\S(=O)(=O)[O-])ccnc12.OC(CC(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].[Na+].[Na+]
InChIInChI=1S/C16H12N2O6S2.C14H13F3O2.Eu.2Na/c19-25(20,21)9-5-11-3-7-17-15-13(11)1-2-14-12(4-8-18-16(14)15)6-10-26(22,23)24;15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;;;/h1-10H,(H,19,20,21)(H,22,23,24);1-7,12-13,18-19H,8H2;;;/q;;;2*+1/p-2/b9-5-,10-6-;;;;
InChIKeyJHJNVKHSZMYKIQ-PWUTVFOPSA-L
XLogP-0.99
TPSA180.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500858.59
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606778
Disodium;4-[2,9-dimethyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 58667395
Tetrasodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxy-2-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 58667397
Disodium;europium;[7-(sulfonatomethyl)-1,10-phenanthrolin-4-yl]methanesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667399
Disodium;europium;4-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-diol
CID 58667406
Disodium;[2,9-bis(4-methylphenyl)-7-(sulfonatomethyl)-1,10-phenanthrolin-4-yl]methanesulfonate;europium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667413
Disodium;europium;4-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667417
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
Europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667422
Europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 58667430
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
Sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 58667438

Frequently Asked Questions

What is the IUPAC name of disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?
The IUPAC name of disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol (CID 58667431) is disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol.
What is the SMILES notation for disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?
The canonical SMILES for disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol is O=S(=O)([O-])/C=C\c1ccnc2c1ccc1c(/C=C\S(=O)(=O)[O-])ccnc12.OC(CC(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].[Na+].[Na+].
What is the InChIKey of disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?
The InChIKey is JHJNVKHSZMYKIQ-PWUTVFOPSA-L. The full InChI is InChI=1S/C16H12N2O6S2.C14H13F3O2.Eu.2Na/c19-25(20,21)9-5-11-3-7-17-15-13(11)1-2-14-12(4-8-18-16(14)15)6-10-26(22,23)24;15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;;;/h1-10H,(H,19,20,21)(H,22,23,24);1-7,12-13,18-19H,8H2;;;/q;;;2*+1/p-2/b9-5-,10-6-;;;;.
What are the key properties of disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?
disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol has a molecular weight of 858.59 g/mol, XLogP of -0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol is sourced from PubChem (CID 58667431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).