iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine

C32H22IrN4-2 — CID 171470504

IUPACiridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
SMILES[Ir].[c-]1c(-c2[c-]c(-c3ccccn3)ccc2)cccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H14N2.C10H8N2.Ir/c1-3-13-23-21(11-1)19-9-5-7-17(15-19)18-8-6-10-20(16-18)22-12-2-4-14-24-22;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-14H;1-8H;/q-2;;
InChIKeyGKZKOTAQBYQBAM-UHFFFAOYSA-N
MW654.77 g/mol
LogP7.22
Rot. Bonds4

About iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine

iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine (PubChem CID 171470504) has the molecular formula C32H22IrN4-2 and a molecular weight of 654.77 g/mol. Its IUPAC name is iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Nameiridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
PubChem CID171470504
Molecular FormulaC32H22IrN4-2
Molecular Weight654.77 g/mol
Exact Mass655.15
IUPAC Nameiridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
SMILES[Ir].[c-]1c(-c2[c-]c(-c3ccccn3)ccc2)cccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H14N2.C10H8N2.Ir/c1-3-13-23-21(11-1)19-9-5-7-17(15-19)18-8-6-10-20(16-18)22-12-2-4-14-24-22;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-14H;1-8H;/q-2;;
InChIKeyGKZKOTAQBYQBAM-UHFFFAOYSA-N
XLogP7.22
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 57.22
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

ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 21024826
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CID 157414617
iridium;2-pyridin-2-ylpyridine;ruthenium
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platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid
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iridium;tris(2-phenylpyridine)
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bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 58637296
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine?
The IUPAC name of iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine (CID 171470504) is iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine.
What is the SMILES notation for iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine?
The canonical SMILES for iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine is [Ir].[c-]1c(-c2[c-]c(-c3ccccn3)ccc2)cccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine?
The InChIKey is GKZKOTAQBYQBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2.C10H8N2.Ir/c1-3-13-23-21(11-1)19-9-5-7-17(15-19)18-8-6-10-20(16-18)22-12-2-4-14-24-22;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-14H;1-8H;/q-2;;.
What are the key properties of iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine?
iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine has a molecular weight of 654.77 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine is sourced from PubChem (CID 171470504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).