3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid

C28H20IrN3O2- — CID 58991422

IUPAC3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H15N2.C6H5NO2.Ir/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;8-6(9)5-3-1-2-4-7-5;/h1-12,14-16H;1-4H,(H,8,9);/q-1;;
InChIKeyJIMBNQLSIROFGO-UHFFFAOYSA-N
MW622.70 g/mol
LogP6.06
Rot. Bonds4

About 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid

3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid (PubChem CID 58991422) has the molecular formula C28H20IrN3O2- and a molecular weight of 622.70 g/mol. Its IUPAC name is 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid
PubChem CID58991422
Molecular FormulaC28H20IrN3O2-
Molecular Weight622.70 g/mol
Exact Mass623.12
IUPAC Name3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H15N2.C6H5NO2.Ir/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;8-6(9)5-3-1-2-4-7-5;/h1-12,14-16H;1-4H,(H,8,9);/q-1;;
InChIKeyJIMBNQLSIROFGO-UHFFFAOYSA-N
XLogP6.06
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.70
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid 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

2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid
CID 58389309
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
3,5-diphenyl-2-phenylpyrazine;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 156675172
3,5-diphenyl-2-phenylpyrazine;iridium;6-methylheptane-2,4-diol
CID 59844751
1,3-dimethoxypropane-1,3-diol;3,5-diphenyl-2-phenylpyrazine;iridium
CID 58991397
3,5-diphenyl-2-phenylpyrazine;iridium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 59227834
3,5-diphenyl-2-phenylpyrazine;2-(1-hydroxyethyl)cyclohexan-1-ol;iridium
CID 140608905
benzoic acid;copper(1+);bis(pyridine-2-carboxylic acid)
CID 161261554
1,3-dimethoxypropane-1,3-diol;5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine;iridium
CID 58991490
benzene;iridium;pyridine-2-carboxylic acid
CID 175281168
2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426416

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid?
The IUPAC name of 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid (CID 58991422) is 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid.
What is the SMILES notation for 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid?
The canonical SMILES for 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid is O=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid?
The InChIKey is JIMBNQLSIROFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2.C6H5NO2.Ir/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;8-6(9)5-3-1-2-4-7-5;/h1-12,14-16H;1-4H,(H,8,9);/q-1;;.
What are the key properties of 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid?
3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid has a molecular weight of 622.70 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid is sourced from PubChem (CID 58991422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).