benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine

C32H28IrN4-2 — CID 58352556

IUPACbenzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine
SMILES[Ir].[c-]1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C10H8N2.2C6H5.2C5H5N.Ir/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2-4-6-5-3-1;/h1-8H;4*1-5H;/q;2*-1;;;
InChIKeyLMYNCKHGTXVDOP-UHFFFAOYSA-N
MW660.82 g/mol
LogP7.28
Rot. Bonds1

About benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine

benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine (PubChem CID 58352556) has the molecular formula C32H28IrN4-2 and a molecular weight of 660.82 g/mol. Its IUPAC name is benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebenzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine
PubChem CID58352556
Molecular FormulaC32H28IrN4-2
Molecular Weight660.82 g/mol
Exact Mass661.20
IUPAC Namebenzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine
SMILES[Ir].[c-]1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C10H8N2.2C6H5.2C5H5N.Ir/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2-4-6-5-3-1;/h1-8H;4*1-5H;/q;2*-1;;;
InChIKeyLMYNCKHGTXVDOP-UHFFFAOYSA-N
XLogP7.28
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
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CID 76737267
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
CID 11422486
pyridin-4-amine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
CID 11180709
bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139133343
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125

Frequently Asked Questions

What is the IUPAC name of benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine?
The IUPAC name of benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine (CID 58352556) is benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine.
What is the SMILES notation for benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine?
The canonical SMILES for benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine is [Ir].[c-]1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1.
What is the InChIKey of benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine?
The InChIKey is LMYNCKHGTXVDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2C6H5.2C5H5N.Ir/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2-4-6-5-3-1;/h1-8H;4*1-5H;/q;2*-1;;;.
What are the key properties of benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine?
benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine has a molecular weight of 660.82 g/mol, XLogP of 7.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine is sourced from PubChem (CID 58352556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).