1,10-phenanthroline-2-carboxylate;terbium(3+)

C13H7N2O2Tb+2 — CID 161309891

IUPAC1,10-phenanthroline-2-carboxylate;terbium(3+)
SMILESO=C([O-])c1ccc2ccc3cccnc3c2n1.[Tb+3]
InChIInChI=1S/C13H8N2O2.Tb/c16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h1-7H,(H,16,17);/q;+3/p-1
InChIKeyVISYXDNXFKMEBW-UHFFFAOYSA-M
MW382.14 g/mol
LogP1.15
Rot. Bonds1

About 1,10-phenanthroline-2-carboxylate;terbium(3+)

1,10-phenanthroline-2-carboxylate;terbium(3+) (PubChem CID 161309891) has the molecular formula C13H7N2O2Tb+2 and a molecular weight of 382.14 g/mol. Its IUPAC name is 1,10-phenanthroline-2-carboxylate;terbium(3+).

Molecular Properties

Compound Name1,10-phenanthroline-2-carboxylate;terbium(3+)
PubChem CID161309891
Molecular FormulaC13H7N2O2Tb+2
Molecular Weight382.14 g/mol
Exact Mass381.98
IUPAC Name1,10-phenanthroline-2-carboxylate;terbium(3+)
SMILESO=C([O-])c1ccc2ccc3cccnc3c2n1.[Tb+3]
InChIInChI=1S/C13H8N2O2.Tb/c16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h1-7H,(H,16,17);/q;+3/p-1
InChIKeyVISYXDNXFKMEBW-UHFFFAOYSA-M
XLogP1.15
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.14
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843
lithium 1,10-phenanthroline-2-carboxylate
CID 158215060
tetracopper;tetrakis(6-carboxypyridine-2-carboxylate);bis(1,10-phenanthroline);bis(pyridine-2,6-dicarboxylate);undecahydrate
CID 139197745
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
sodium 8-hydroxyquinoline-2-carboxylate
CID 23712843
ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120
1-(1,10-phenanthrolin-2-yl)propan-1-one
CID 71741494
nickel(2+);tris(1,10-phenanthroline);bis(2,4,5-tricarboxybenzoate);hydrate
CID 139082419
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755

Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline-2-carboxylate;terbium(3+)?
The IUPAC name of 1,10-phenanthroline-2-carboxylate;terbium(3+) (CID 161309891) is 1,10-phenanthroline-2-carboxylate;terbium(3+).
What is the SMILES notation for 1,10-phenanthroline-2-carboxylate;terbium(3+)?
The canonical SMILES for 1,10-phenanthroline-2-carboxylate;terbium(3+) is O=C([O-])c1ccc2ccc3cccnc3c2n1.[Tb+3].
What is the InChIKey of 1,10-phenanthroline-2-carboxylate;terbium(3+)?
The InChIKey is VISYXDNXFKMEBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8N2O2.Tb/c16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h1-7H,(H,16,17);/q;+3/p-1.
What are the key properties of 1,10-phenanthroline-2-carboxylate;terbium(3+)?
1,10-phenanthroline-2-carboxylate;terbium(3+) has a molecular weight of 382.14 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-2-carboxylate;terbium(3+) is sourced from PubChem (CID 161309891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).