tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline

C33H23EuN2O9 — CID 139240160

IUPACtris(2-carboxyphenolate);europium(3+);1,10-phenanthroline
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.3C7H6O3.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*8-6-4-2-1-3-5(6)7(9)10;/h1-8H;3*1-4,8H,(H,9,10);/q;;;;+3/p-3
InChIKeyCNMBRBRUCAZTFQ-UHFFFAOYSA-K
MW743.52 g/mol
LogP4.16
Rot. Bonds3

About tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline

tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline (PubChem CID 139240160) has the molecular formula C33H23EuN2O9 and a molecular weight of 743.52 g/mol. Its IUPAC name is tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline.

Molecular Properties

Compound Nametris(2-carboxyphenolate);europium(3+);1,10-phenanthroline
PubChem CID139240160
Molecular FormulaC33H23EuN2O9
Molecular Weight743.52 g/mol
Exact Mass744.06
IUPAC Nametris(2-carboxyphenolate);europium(3+);1,10-phenanthroline
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.3C7H6O3.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*8-6-4-2-1-3-5(6)7(9)10;/h1-8H;3*1-4,8H,(H,9,10);/q;;;;+3/p-3
InChIKeyCNMBRBRUCAZTFQ-UHFFFAOYSA-K
XLogP4.16
TPSA206.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500743.52
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline?
The IUPAC name of tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline (CID 139240160) is tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline.
What is the SMILES notation for tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline?
The canonical SMILES for tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline is O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Eu+3].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline?
The InChIKey is CNMBRBRUCAZTFQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H8N2.3C7H6O3.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*8-6-4-2-1-3-5(6)7(9)10;/h1-8H;3*1-4,8H,(H,9,10);/q;;;;+3/p-3.
What are the key properties of tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline?
tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline has a molecular weight of 743.52 g/mol, XLogP of 4.16, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-carboxyphenolate);europium(3+);1,10-phenanthroline is sourced from PubChem (CID 139240160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).