2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid

C26H18N3O2Pt- — CID 58389309

IUPAC2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Pt].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C20H13N2.C6H5NO2.Pt/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;8-6(9)5-3-1-2-4-7-5;/h1-11,13-14H;1-4H,(H,8,9);/q-1;;
InChIKeyLTBWXGRTNSBILS-UHFFFAOYSA-N
MW599.53 g/mol
LogP5.54
Rot. Bonds3

About 2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid

2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid (PubChem CID 58389309) has the molecular formula C26H18N3O2Pt- and a molecular weight of 599.53 g/mol. Its IUPAC name is 2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid
PubChem CID58389309
Molecular FormulaC26H18N3O2Pt-
Molecular Weight599.53 g/mol
Exact Mass599.11
IUPAC Name2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Pt].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C20H13N2.C6H5NO2.Pt/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;8-6(9)5-3-1-2-4-7-5;/h1-11,13-14H;1-4H,(H,8,9);/q-1;;
InChIKeyLTBWXGRTNSBILS-UHFFFAOYSA-N
XLogP5.54
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.53
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid?
The IUPAC name of 2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid (CID 58389309) is 2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid.
What is the SMILES notation for 2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid?
The canonical SMILES for 2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid is O=C(O)c1ccccn1.[Pt].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid?
The InChIKey is LTBWXGRTNSBILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N2.C6H5NO2.Pt/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;8-6(9)5-3-1-2-4-7-5;/h1-11,13-14H;1-4H,(H,8,9);/q-1;;.
What are the key properties of 2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid?
2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid has a molecular weight of 599.53 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid is sourced from PubChem (CID 58389309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).