europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline

C57H44EuN2O9 — CID 58978734

IUPACeuropium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline
SMILESCc1ccc(C(=O)c2ccccc2C(=O)O)cc1.Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1.Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C15H12O3.C12H8N2.Eu/c3*1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*2-9H,1H3,(H,17,18);1-8H;
InChIKeyZDFXBICGWIALRE-UHFFFAOYSA-N
MW1052.95 g/mol
LogP11.56
Rot. Bonds9

About europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline

europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline (PubChem CID 58978734) has the molecular formula C57H44EuN2O9 and a molecular weight of 1052.95 g/mol. Its IUPAC name is europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline
PubChem CID58978734
Molecular FormulaC57H44EuN2O9
Molecular Weight1052.95 g/mol
Exact Mass1053.23
IUPAC Nameeuropium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline
SMILESCc1ccc(C(=O)c2ccccc2C(=O)O)cc1.Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1.Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C15H12O3.C12H8N2.Eu/c3*1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*2-9H,1H3,(H,17,18);1-8H;
InChIKeyZDFXBICGWIALRE-UHFFFAOYSA-N
XLogP11.56
TPSA188.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.95
LogP ≤ 511.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze europium;tris(2-(4-methylbenzoyl)benzoic acid);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

Related Compounds

tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
tris(2-carboxyphenolate);lanthanum(3+);1,10-phenanthroline
CID 139240156
quinoline-7,8-dicarboxylic acid
CID 19101920
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
palladium;quinoline-8-carboxylic acid
CID 174945118
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
4,6-bis(1,10-phenanthrolin-2-yl)benzene-1,3-dicarboxylic acid
CID 118448774
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
copper;bis(2-methylbenzoate);1,10-phenanthroline
CID 139081296
2-methylbenzene-1,3-dicarboxylic acid;(4-methylphenyl)-phenylmethanone
CID 174815281

Frequently Asked Questions

What is the IUPAC name of europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline?
The IUPAC name of europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline (CID 58978734) is europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline.
What is the SMILES notation for europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline?
The canonical SMILES for europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline is Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1.Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1.Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline?
The InChIKey is ZDFXBICGWIALRE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H12O3.C12H8N2.Eu/c3*1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*2-9H,1H3,(H,17,18);1-8H;.
What are the key properties of europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline?
europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline has a molecular weight of 1052.95 g/mol, XLogP of 11.56, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline is sourced from PubChem (CID 58978734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).