europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)

C41H23EuF9N3O6S3 — CID 139176362

IUPACeuropium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
SMILESO=C(/C=C(\[O-])C(F)(F)F)c1cccs1.O=C(/C=C(\[O-])C(F)(F)F)c1cccs1.O=C(/C=C(\[O-])C(F)(F)F)c1cccs1.[Eu+3].c1ccc(-c2ccc3ccc4cccnc4c3n2)nc1
InChIInChI=1S/C17H11N3.3C8H5F3O2S.Eu/c1-2-10-18-14(5-1)15-9-8-13-7-6-12-4-3-11-19-16(12)17(13)20-15;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-11H;3*1-4,13H;/q;;;;+3/p-3/b;3*7-4-;
InChIKeyKHQMCVLLMUOWIK-QSDLRBNBSA-K
MW1072.80 g/mol
LogP9.06
Rot. Bonds7

About europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)

europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) (PubChem CID 139176362) has the molecular formula C41H23EuF9N3O6S3 and a molecular weight of 1072.80 g/mol. Its IUPAC name is europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate).

Molecular Properties

Compound Nameeuropium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
PubChem CID139176362
Molecular FormulaC41H23EuF9N3O6S3
Molecular Weight1072.80 g/mol
Exact Mass1072.98
IUPAC Nameeuropium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
SMILESO=C(/C=C(\[O-])C(F)(F)F)c1cccs1.O=C(/C=C(\[O-])C(F)(F)F)c1cccs1.O=C(/C=C(\[O-])C(F)(F)F)c1cccs1.[Eu+3].c1ccc(-c2ccc3ccc4cccnc4c3n2)nc1
InChIInChI=1S/C17H11N3.3C8H5F3O2S.Eu/c1-2-10-18-14(5-1)15-9-8-13-7-6-12-4-3-11-19-16(12)17(13)20-15;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-11H;3*1-4,13H;/q;;;;+3/p-3/b;3*7-4-;
InChIKeyKHQMCVLLMUOWIK-QSDLRBNBSA-K
XLogP9.06
TPSA159.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001072.80
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) with MolForge

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Related Compounds

(4,4'-dimethyl-2,2'-bipyridyl)tris[3,3,3-trifluoro-1-(2-thenoyl)acetonato]-europium(III)
CID 139058407
(1S,9S)-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;dysprosium(3+);tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
CID 139131632
2,6-dipyridin-2-ylpyridine;europium(3+);tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
CID 168344061
(1,10-PHENANTHROLINE)TRIS[4,4,4-TRIFLUORO-1-(2-THIENYL)-1,3-BUTANEDIONATO]EUROPIUM(III),98.0per cent
CID 15369070
europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-enylidene]oxidanium
CID 58660899
CID 58894989
CID 58894989
CID 58894994
CID 58894994
Europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione
CID 87772755
Europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
CID 88056816
europium;1,10-phenanthroline;(Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
CID 136052769
europium;1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)
CID 136104109
europium;1,10-phenanthroline;4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbutan-1-one;bis((Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)
CID 136128857

Frequently Asked Questions

What is the IUPAC name of europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)?
The IUPAC name of europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) (CID 139176362) is europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate).
What is the SMILES notation for europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)?
The canonical SMILES for europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) is O=C(/C=C(\[O-])C(F)(F)F)c1cccs1.O=C(/C=C(\[O-])C(F)(F)F)c1cccs1.O=C(/C=C(\[O-])C(F)(F)F)c1cccs1.[Eu+3].c1ccc(-c2ccc3ccc4cccnc4c3n2)nc1.
What is the InChIKey of europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)?
The InChIKey is KHQMCVLLMUOWIK-QSDLRBNBSA-K. The full InChI is InChI=1S/C17H11N3.3C8H5F3O2S.Eu/c1-2-10-18-14(5-1)15-9-8-13-7-6-12-4-3-11-19-16(12)17(13)20-15;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-11H;3*1-4,13H;/q;;;;+3/p-3/b;3*7-4-;.
What are the key properties of europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)?
europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) has a molecular weight of 1072.80 g/mol, XLogP of 9.06, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);2-pyridin-2-yl-1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) is sourced from PubChem (CID 139176362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).