bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)

C26H14N4O4Ru — CID 175903843

IUPACbis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
SMILESO=C([O-])c1ccc2ccc3cccnc3c2n1.O=C([O-])c1ccc2ccc3cccnc3c2n1.[Ru+2]
InChIInChI=1S/2C13H8N2O2.Ru/c2*16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h2*1-7H,(H,16,17);/q;;+2/p-2
InChIKeyYEJKVPDLDGAMSL-UHFFFAOYSA-L
MW547.49 g/mol
LogP2.29
Rot. Bonds2

About bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)

bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+) (PubChem CID 175903843) has the molecular formula C26H14N4O4Ru and a molecular weight of 547.49 g/mol. Its IUPAC name is bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+).

Molecular Properties

Compound Namebis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
PubChem CID175903843
Molecular FormulaC26H14N4O4Ru
Molecular Weight547.49 g/mol
Exact Mass548.01
IUPAC Namebis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
SMILESO=C([O-])c1ccc2ccc3cccnc3c2n1.O=C([O-])c1ccc2ccc3cccnc3c2n1.[Ru+2]
InChIInChI=1S/2C13H8N2O2.Ru/c2*16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h2*1-7H,(H,16,17);/q;;+2/p-2
InChIKeyYEJKVPDLDGAMSL-UHFFFAOYSA-L
XLogP2.29
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+) 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

1,10-phenanthroline-2-carboxylate;terbium(3+)
CID 161309891
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
copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate)
CID 160750297
copper;bis(2-methylbenzoate);1,10-phenanthroline
CID 139081296
nickel(2+);tris(1,10-phenanthroline);bis(2,4,5-tricarboxybenzoate);hydrate
CID 139082419
CID 58385596
CID 58385596

Frequently Asked Questions

What is the IUPAC name of bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)?
The IUPAC name of bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+) (CID 175903843) is bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+).
What is the SMILES notation for bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)?
The canonical SMILES for bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+) is O=C([O-])c1ccc2ccc3cccnc3c2n1.O=C([O-])c1ccc2ccc3cccnc3c2n1.[Ru+2].
What is the InChIKey of bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)?
The InChIKey is YEJKVPDLDGAMSL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H8N2O2.Ru/c2*16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h2*1-7H,(H,16,17);/q;;+2/p-2.
What are the key properties of bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)?
bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+) has a molecular weight of 547.49 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+) is sourced from PubChem (CID 175903843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).