europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline

C57H41EuN2O6 — CID 131675766

IUPACeuropium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline
SMILESO=C(/C=C(/[O-])c1ccccc1)c1ccccc1.O=C(/C=C(/[O-])c1ccccc1)c1ccccc1.O=C(/C=C(/[O-])c1ccccc1)c1ccccc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C15H12O2.C12H8N2.Eu/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-11,16H;1-8H;/q;;;;+3/p-3/b3*14-11+;;
InChIKeyVFVBZVBAWCSCIO-RWBKAWJDSA-K
MW1001.93 g/mol
LogP9.60
Rot. Bonds9

About europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline

europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline (PubChem CID 131675766) has the molecular formula C57H41EuN2O6 and a molecular weight of 1001.93 g/mol. Its IUPAC name is europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline
PubChem CID131675766
Molecular FormulaC57H41EuN2O6
Molecular Weight1001.93 g/mol
Exact Mass1002.22
IUPAC Nameeuropium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline
SMILESO=C(/C=C(/[O-])c1ccccc1)c1ccccc1.O=C(/C=C(/[O-])c1ccccc1)c1ccccc1.O=C(/C=C(/[O-])c1ccccc1)c1ccccc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C15H12O2.C12H8N2.Eu/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-11,16H;1-8H;/q;;;;+3/p-3/b3*14-11+;;
InChIKeyVFVBZVBAWCSCIO-RWBKAWJDSA-K
XLogP9.60
TPSA146.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.93
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline
CID 134067850
lead(2+);1,10-phenanthroline;acetate;benzoate;hydrate
CID 139077114
lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate
CID 139083398
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
CID 139155657
CID 139155657
manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline
CID 139086176
3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)
CID 139176199
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)
CID 139143577
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843
1,10-phenanthroline-2-carboxylate;terbium(3+)
CID 161309891

Frequently Asked Questions

What is the IUPAC name of europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline?
The IUPAC name of europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline (CID 131675766) is europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline.
What is the SMILES notation for europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline?
The canonical SMILES for europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline is O=C(/C=C(/[O-])c1ccccc1)c1ccccc1.O=C(/C=C(/[O-])c1ccccc1)c1ccccc1.O=C(/C=C(/[O-])c1ccccc1)c1ccccc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline?
The InChIKey is VFVBZVBAWCSCIO-RWBKAWJDSA-K. The full InChI is InChI=1S/3C15H12O2.C12H8N2.Eu/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-11,16H;1-8H;/q;;;;+3/p-3/b3*14-11+;;.
What are the key properties of europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline?
europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline has a molecular weight of 1001.93 g/mol, XLogP of 9.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline is sourced from PubChem (CID 131675766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).