tris(2-carboxyquinolin-8-olate);terbium(3+)

C30H18N3O9Tb — CID 157443748

IUPACtris(2-carboxyquinolin-8-olate);terbium(3+)
SMILESO=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.[Tb+3]
InChIInChI=1S/3C10H7NO3.Tb/c3*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h3*1-5,12H,(H,13,14);/q;;;+3/p-3
InChIKeyBRZBEJWKMIURHA-UHFFFAOYSA-K
MW723.41 g/mol
LogP3.02
Rot. Bonds3

About tris(2-carboxyquinolin-8-olate);terbium(3+)

tris(2-carboxyquinolin-8-olate);terbium(3+) (PubChem CID 157443748) has the molecular formula C30H18N3O9Tb and a molecular weight of 723.41 g/mol. Its IUPAC name is tris(2-carboxyquinolin-8-olate);terbium(3+).

Molecular Properties

Compound Nametris(2-carboxyquinolin-8-olate);terbium(3+)
PubChem CID157443748
Molecular FormulaC30H18N3O9Tb
Molecular Weight723.41 g/mol
Exact Mass723.03
IUPAC Nametris(2-carboxyquinolin-8-olate);terbium(3+)
SMILESO=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.[Tb+3]
InChIInChI=1S/3C10H7NO3.Tb/c3*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h3*1-5,12H,(H,13,14);/q;;;+3/p-3
InChIKeyBRZBEJWKMIURHA-UHFFFAOYSA-K
XLogP3.02
TPSA219.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500723.41
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of tris(2-carboxyquinolin-8-olate);terbium(3+)?
The IUPAC name of tris(2-carboxyquinolin-8-olate);terbium(3+) (CID 157443748) is tris(2-carboxyquinolin-8-olate);terbium(3+).
What is the SMILES notation for tris(2-carboxyquinolin-8-olate);terbium(3+)?
The canonical SMILES for tris(2-carboxyquinolin-8-olate);terbium(3+) is O=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.[Tb+3].
What is the InChIKey of tris(2-carboxyquinolin-8-olate);terbium(3+)?
The InChIKey is BRZBEJWKMIURHA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H7NO3.Tb/c3*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h3*1-5,12H,(H,13,14);/q;;;+3/p-3.
What are the key properties of tris(2-carboxyquinolin-8-olate);terbium(3+)?
tris(2-carboxyquinolin-8-olate);terbium(3+) has a molecular weight of 723.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-carboxyquinolin-8-olate);terbium(3+) is sourced from PubChem (CID 157443748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).