europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline

C57H44EuN2O6 — CID 156619803

IUPACeuropium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);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].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;/b3*14-11+;;
InChIKeyDYKOLWWJTALFFU-RWBKAWJDSA-N
MW1004.95 g/mol
LogP13.19
Rot. Bonds9

About europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline

europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline (PubChem CID 156619803) has the molecular formula C57H44EuN2O6 and a molecular weight of 1004.95 g/mol. Its IUPAC name is europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline
PubChem CID156619803
Molecular FormulaC57H44EuN2O6
Molecular Weight1004.95 g/mol
Exact Mass1005.24
IUPAC Nameeuropium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);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].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;/b3*14-11+;;
InChIKeyDYKOLWWJTALFFU-RWBKAWJDSA-N
XLogP13.19
TPSA137.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.95
LogP ≤ 513.19
H-Bond Donors ≤ 53
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'}

Analyze europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline?
The IUPAC name of europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline (CID 156619803) is europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline.
What is the SMILES notation for europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline?
The canonical SMILES for europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);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].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline?
The InChIKey is DYKOLWWJTALFFU-RWBKAWJDSA-N. 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;/b3*14-11+;;.
What are the key properties of europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline?
europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline has a molecular weight of 1004.95 g/mol, XLogP of 13.19, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline is sourced from PubChem (CID 156619803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).