benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid

C20H14EuN2O4 — CID 161453399

IUPACbenzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
SMILESO=C(O)c1ccc2ccc3ccc(C(=O)O)nc3c2n1.[Eu].c1ccccc1
InChIInChI=1S/C14H8N2O4.C6H6.Eu/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9;1-2-4-6-5-3-1;/h1-6H,(H,17,18)(H,19,20);1-6H;
InChIKeyWAVFHLSRSHTDTI-UHFFFAOYSA-N
MW498.31 g/mol
LogP3.87
Rot. Bonds2

About benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid

benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid (PubChem CID 161453399) has the molecular formula C20H14EuN2O4 and a molecular weight of 498.31 g/mol. Its IUPAC name is benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid.

Molecular Properties

Compound Namebenzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
PubChem CID161453399
Molecular FormulaC20H14EuN2O4
Molecular Weight498.31 g/mol
Exact Mass499.02
IUPAC Namebenzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
SMILESO=C(O)c1ccc2ccc3ccc(C(=O)O)nc3c2n1.[Eu].c1ccccc1
InChIInChI=1S/C14H8N2O4.C6H6.Eu/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9;1-2-4-6-5-3-1;/h1-6H,(H,17,18)(H,19,20);1-6H;
InChIKeyWAVFHLSRSHTDTI-UHFFFAOYSA-N
XLogP3.87
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.31
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

quinoline-2,8-dicarboxylic acid
CID 19033995
copper;bis(8-hydroxyquinoline-2-carboxylic acid)
CID 172842653
2-carboxyquinolin-8-olate
CID 54696394
tris(2-carboxyquinolin-8-olate);terbium(3+)
CID 157443748
bis(2-carboxyquinolin-8-olate);europium(2+)
CID 87928997
copper bis(2-carboxyquinolin-8-olate)
CID 54720975
calcium bis(2-carboxyquinolin-8-olate)
CID 68819194
2-carboxyquinolin-8-olate;methylmercury(1+)
CID 70518723
europium;quinoline-2-carboxylic acid
CID 87730482
ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120
7-amino-8-fluoroquinoline-2-carboxylic acid
CID 90690862
8-bromo-7-fluoroquinoline-2-carboxylic acid
CID 97036795

Frequently Asked Questions

What is the IUPAC name of benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid?
The IUPAC name of benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid (CID 161453399) is benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid.
What is the SMILES notation for benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid?
The canonical SMILES for benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid is O=C(O)c1ccc2ccc3ccc(C(=O)O)nc3c2n1.[Eu].c1ccccc1.
What is the InChIKey of benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid?
The InChIKey is WAVFHLSRSHTDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O4.C6H6.Eu/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9;1-2-4-6-5-3-1;/h1-6H,(H,17,18)(H,19,20);1-6H;.
What are the key properties of benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid?
benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid has a molecular weight of 498.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid is sourced from PubChem (CID 161453399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).