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

C36H20EuF9N2O6S3 — CID 15369070

IUPACeuropium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)
SMILESO=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.3C8H5F3O2S.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-8H;3*1-4,12H;/q;;;;+3/p-3/b;3*5-4-;
InChIKeyGMFTYFSOONOZOH-MCTJRNESSA-K
MW995.71 g/mol
LogP7.53
Rot. Bonds6

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

europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate) (PubChem CID 15369070) has the molecular formula C36H20EuF9N2O6S3 and a molecular weight of 995.71 g/mol. Its IUPAC name is europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate).

Molecular Properties

Compound Nameeuropium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)
PubChem CID15369070
Molecular FormulaC36H20EuF9N2O6S3
Molecular Weight995.71 g/mol
Exact Mass995.96
IUPAC Nameeuropium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)
SMILESO=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.3C8H5F3O2S.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-8H;3*1-4,12H;/q;;;;+3/p-3/b;3*5-4-;
InChIKeyGMFTYFSOONOZOH-MCTJRNESSA-K
XLogP7.53
TPSA146.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500995.71
LogP ≤ 57.53
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)?
The IUPAC name of europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate) (CID 15369070) is europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate).
What is the SMILES notation for europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)?
The canonical SMILES for europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate) is O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.[Eu+3].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)?
The InChIKey is GMFTYFSOONOZOH-MCTJRNESSA-K. The full InChI is InChI=1S/C12H8N2.3C8H5F3O2S.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-8H;3*1-4,12H;/q;;;;+3/p-3/b;3*5-4-;.
What are the key properties of europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)?
europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate) has a molecular weight of 995.71 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);1,10-phenanthroline;tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate) is sourced from PubChem (CID 15369070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).