iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid

C25H18IrN3O2- — CID 20826166

IUPACiridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H13N2.C6H5NO2.Ir/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;8-6(9)5-3-1-2-4-7-5;/h1-9,11-14H;1-4H,(H,8,9);/q-1;;
InChIKeyNQTRBDDHOPWSRQ-UHFFFAOYSA-N
MW584.66 g/mol
LogP5.27
Rot. Bonds3

About iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid

iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid (PubChem CID 20826166) has the molecular formula C25H18IrN3O2- and a molecular weight of 584.66 g/mol. Its IUPAC name is iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid
PubChem CID20826166
Molecular FormulaC25H18IrN3O2-
Molecular Weight584.66 g/mol
Exact Mass585.10
IUPAC Nameiridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H13N2.C6H5NO2.Ir/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;8-6(9)5-3-1-2-4-7-5;/h1-9,11-14H;1-4H,(H,8,9);/q-1;;
InChIKeyNQTRBDDHOPWSRQ-UHFFFAOYSA-N
XLogP5.27
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.66
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;1-phenyl-2-phenylbenzimidazole;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

iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426416
2-phenyl-3-phenylquinoxaline;platinum;pyridine-2-carboxylic acid
CID 58389309
4-(4-tert-butylphenyl)-5-phenyl-3-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426450
1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzo[e]benzimidazole;iridium;pyridine-2-carboxylic acid
CID 162471761
4-tert-butyl-3-methyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426418
2-[3-(1,3-benzothiazol-2-yl)benzene-2-id-1-yl]-1,3-benzothiazole;2,6-di(phenyl)pyrazine;iridium;tris(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)-1,3-benzothiazole;1-phenyl-2-(3-phenylbenzene-2-id-1-yl)benzimidazole;1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]benzimidazole;bis(2-phenylpyrimidine);pyrazine-2,6-dicarboxylic acid;bis(pyrimidine)
CID 158772081
4-cyclohexyl-3-methyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426457
iridium;1-phenyl-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175662
3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826378
benzene;iridium;pyridine-2-carboxylic acid
CID 175281168
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid?
The IUPAC name of iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid (CID 20826166) is iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid.
What is the SMILES notation for iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid?
The canonical SMILES for iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid is O=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid?
The InChIKey is NQTRBDDHOPWSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N2.C6H5NO2.Ir/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;8-6(9)5-3-1-2-4-7-5;/h1-9,11-14H;1-4H,(H,8,9);/q-1;;.
What are the key properties of iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid?
iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid has a molecular weight of 584.66 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenyl-2-phenylbenzimidazole;pyridine-2-carboxylic acid is sourced from PubChem (CID 20826166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).