europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)

C36H24EuF9N2O6S3 — CID 139058407

IUPACeuropium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
SMILESCc1ccnc(-c2cc(C)ccn2)c1.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]
InChIInChI=1S/C12H12N2.3C8H5F3O2S.Eu/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3-8H,1-2H3;3*1-4,13H;/q;;;;+3/p-3/b;3*7-4-;
InChIKeyKHZUYYBSOIUOJY-QSDLRBNBSA-K
MW999.74 g/mol
LogP7.97
Rot. Bonds7

About europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)

europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) (PubChem CID 139058407) has the molecular formula C36H24EuF9N2O6S3 and a molecular weight of 999.74 g/mol. Its IUPAC name is europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate).

Molecular Properties

Compound Nameeuropium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
PubChem CID139058407
Molecular FormulaC36H24EuF9N2O6S3
Molecular Weight999.74 g/mol
Exact Mass999.99
IUPAC Nameeuropium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
SMILESCc1ccnc(-c2cc(C)ccn2)c1.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]
InChIInChI=1S/C12H12N2.3C8H5F3O2S.Eu/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3-8H,1-2H3;3*1-4,13H;/q;;;;+3/p-3/b;3*7-4-;
InChIKeyKHZUYYBSOIUOJY-QSDLRBNBSA-K
XLogP7.97
TPSA146.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.74
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III)
CID 139049263
zinc;bis(4-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139130038
(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
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
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
3,6-dipyridin-2-ylpyridazine;samarium(3+);tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
CID 168344879
3,6-dipyridin-2-ylpyridazine;thulium(3+);tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
CID 168344880
3,6-dipyridin-2-ylpyridazine;terbium(3+);bis((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate);(Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate
CID 168344881
3,6-dipyridin-2-ylpyridazine;dysprosium(3+);tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
CID 168344882
3,6-dipyridin-2-ylpyridazine;neodymium(3+);tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)
CID 168344883
cerium;2-pyridin-2-ylpyridine;(Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
CID 136013230
europium;1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)
CID 136104109

Frequently Asked Questions

What is the IUPAC name of europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)?
The IUPAC name of europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) (CID 139058407) is europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate).
What is the SMILES notation for europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)?
The canonical SMILES for europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) is Cc1ccnc(-c2cc(C)ccn2)c1.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].
What is the InChIKey of europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)?
The InChIKey is KHZUYYBSOIUOJY-QSDLRBNBSA-K. The full InChI is InChI=1S/C12H12N2.3C8H5F3O2S.Eu/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3-8H,1-2H3;3*1-4,13H;/q;;;;+3/p-3/b;3*7-4-;.
What are the key properties of europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate)?
europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) has a molecular weight of 999.74 g/mol, XLogP of 7.97, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-olate) is sourced from PubChem (CID 139058407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).