sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol

C27H22EuF3N2NaO5S — CID 58667438

IUPACsodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
SMILESCc1ccnc2c1ccc1c(OS(=O)[O-])ccnc12.OC(CC(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].[Na+]
InChIInChI=1S/C14H13F3O2.C13H10N2O3S.Eu.Na/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;1-8-4-6-14-12-9(8)2-3-10-11(18-19(16)17)5-7-15-13(10)12;;/h1-7,12-13,18-19H,8H2;2-7H,1H3,(H,16,17);;/q;;;+1/p-1
InChIKeyMMVZAIWYQDKXAU-UHFFFAOYSA-M
MW718.50 g/mol
LogP2.45
Rot. Bonds5

About sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol

sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol (PubChem CID 58667438) has the molecular formula C27H22EuF3N2NaO5S and a molecular weight of 718.50 g/mol. Its IUPAC name is sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol.

Molecular Properties

Compound Namesodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
PubChem CID58667438
Molecular FormulaC27H22EuF3N2NaO5S
Molecular Weight718.50 g/mol
Exact Mass719.03
IUPAC Namesodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
SMILESCc1ccnc2c1ccc1c(OS(=O)[O-])ccnc12.OC(CC(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].[Na+]
InChIInChI=1S/C14H13F3O2.C13H10N2O3S.Eu.Na/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;1-8-4-6-14-12-9(8)2-3-10-11(18-19(16)17)5-7-15-13(10)12;;/h1-7,12-13,18-19H,8H2;2-7H,1H3,(H,16,17);;/q;;;+1/p-1
InChIKeyMMVZAIWYQDKXAU-UHFFFAOYSA-M
XLogP2.45
TPSA115.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500718.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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;4-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-diol
CID 58667406
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;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;(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
Sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667433
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;[4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;4,4,4-trifluoro-1-phenylbutane-1,3-diol
CID 58667440
Disodium;europium;4-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-diol
CID 58667442
Disodium;europium;(7-sulfinatooxy-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 60093698

Frequently Asked Questions

What is the IUPAC name of sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?
The IUPAC name of sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol (CID 58667438) is sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol.
What is the SMILES notation for sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?
The canonical SMILES for sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol is Cc1ccnc2c1ccc1c(OS(=O)[O-])ccnc12.OC(CC(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].[Na+].
What is the InChIKey of sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?
The InChIKey is MMVZAIWYQDKXAU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13F3O2.C13H10N2O3S.Eu.Na/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;1-8-4-6-14-12-9(8)2-3-10-11(18-19(16)17)5-7-15-13(10)12;;/h1-7,12-13,18-19H,8H2;2-7H,1H3,(H,16,17);;/q;;;+1/p-1.
What are the key properties of sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol?
sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol has a molecular weight of 718.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol is sourced from PubChem (CID 58667438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).