iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine

C29H23IrN2- — CID 166502440

IUPACiridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
SMILESCc1ccccc1-c1cc(-c2ccccc2)ccn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H15N.C11H8N.Ir/c1-14-7-5-6-10-17(14)18-13-16(11-12-19-18)15-8-3-2-4-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-13H,1H3;1-6,8-9H;/q;-1;
InChIKeyGVXFCDKQUUIDMK-UHFFFAOYSA-N
MW591.73 g/mol
LogP7.27
Rot. Bonds3

About iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine

iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine (PubChem CID 166502440) has the molecular formula C29H23IrN2- and a molecular weight of 591.73 g/mol. Its IUPAC name is iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
PubChem CID166502440
Molecular FormulaC29H23IrN2-
Molecular Weight591.73 g/mol
Exact Mass592.15
IUPAC Nameiridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
SMILESCc1ccccc1-c1cc(-c2ccccc2)ccn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H15N.C11H8N.Ir/c1-14-7-5-6-10-17(14)18-13-16(11-12-19-18)15-8-3-2-4-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-13H,1H3;1-6,8-9H;/q;-1;
InChIKeyGVXFCDKQUUIDMK-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.73
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine 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;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine
CID 160687812
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine
CID 166502338
iridium;tris(2-phenylpyridine)
CID 23386734
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
iridium;2-phenylpyridine;4-phenyl-2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine
CID 168821993
2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylpyridine;iridium;2-phenylpyridine
CID 168821524
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 160793818
pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)
CID 159371989
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153

Frequently Asked Questions

What is the IUPAC name of iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine?
The IUPAC name of iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine (CID 166502440) is iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine.
What is the SMILES notation for iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine?
The canonical SMILES for iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine is Cc1ccccc1-c1cc(-c2ccccc2)ccn1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine?
The InChIKey is GVXFCDKQUUIDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C11H8N.Ir/c1-14-7-5-6-10-17(14)18-13-16(11-12-19-18)15-8-3-2-4-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-13H,1H3;1-6,8-9H;/q;-1;.
What are the key properties of iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine?
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine has a molecular weight of 591.73 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine is sourced from PubChem (CID 166502440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).