iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine

C37H30IrN3O2 — CID 58621573

IUPACiridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine
SMILES[Ir+3].[c-]1ccccc1-c1cccc(OCCc2ccccn2)n1.[c-]1ccccc1CCOc1cccc(-c2[c-]cccc2)n1
InChIInChI=1S/C19H15NO.C18H15N2O.Ir/c1-3-8-16(9-4-1)14-15-21-19-13-7-12-18(20-19)17-10-5-2-6-11-17;1-2-7-15(8-3-1)17-10-6-11-18(20-17)21-14-12-16-9-4-5-13-19-16;/h1-8,10,12-13H,14-15H2;1-7,9-11,13H,12,14H2;/q-2;-1;+3
InChIKeyPQQJKCSQMWUNKV-UHFFFAOYSA-N
MW740.88 g/mol
LogP7.53
Rot. Bonds10

About iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine

iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine (PubChem CID 58621573) has the molecular formula C37H30IrN3O2 and a molecular weight of 740.88 g/mol. Its IUPAC name is iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine.

Molecular Properties

Compound Nameiridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine
PubChem CID58621573
Molecular FormulaC37H30IrN3O2
Molecular Weight740.88 g/mol
Exact Mass741.20
IUPAC Nameiridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine
SMILES[Ir+3].[c-]1ccccc1-c1cccc(OCCc2ccccn2)n1.[c-]1ccccc1CCOc1cccc(-c2[c-]cccc2)n1
InChIInChI=1S/C19H15NO.C18H15N2O.Ir/c1-3-8-16(9-4-1)14-15-21-19-13-7-12-18(20-19)17-10-5-2-6-11-17;1-2-7-15(8-3-1)17-10-6-11-18(20-17)21-14-12-16-9-4-5-13-19-16;/h1-8,10,12-13H,14-15H2;1-7,9-11,13H,12,14H2;/q-2;-1;+3
InChIKeyPQQJKCSQMWUNKV-UHFFFAOYSA-N
XLogP7.53
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.88
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-Difluorobenzene-6-id-1-yl)-6-[4-[8-[[2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)-3-pyridinyl]oxy]octoxy]benzene-6-id-1-yl]pyridine;iridium(3+)
CID 58621063
CID 58621314
CID 58621314
Iridium(3+);2-phenyl-6-[4-[8-[[2-(3-pyridin-2-ylbenzene-2-id-1-yl)-3-pyridinyl]oxy]octoxy]benzene-6-id-1-yl]pyridine
CID 58621536
CID 58621540
CID 58621540
2-(2,4-Difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)
CID 58709001
2-(2,4-Difluorobenzene-6-id-1-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;platinum(2+)
CID 58709092
2-(Phenoxy)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;platinum(2+)
CID 58870978
2-Phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridine;platinum(2+)
CID 58871015
2-(3-Phenylbenzene-2-id-1-yl)-6-pyridin-2-yloxypyridine;platinum(2+)
CID 58871047
Platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]oxypyridine
CID 58871074
Iridium(3+);tris(2-(3-phenoxybenzene-6-id-1-yl)pyridine)
CID 59346139
2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+)
CID 59661150

Frequently Asked Questions

What is the IUPAC name of iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine?
The IUPAC name of iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine (CID 58621573) is iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine.
What is the SMILES notation for iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine?
The canonical SMILES for iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine is [Ir+3].[c-]1ccccc1-c1cccc(OCCc2ccccn2)n1.[c-]1ccccc1CCOc1cccc(-c2[c-]cccc2)n1.
What is the InChIKey of iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine?
The InChIKey is PQQJKCSQMWUNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO.C18H15N2O.Ir/c1-3-8-16(9-4-1)14-15-21-19-13-7-12-18(20-19)17-10-5-2-6-11-17;1-2-7-15(8-3-1)17-10-6-11-18(20-17)21-14-12-16-9-4-5-13-19-16;/h1-8,10,12-13H,14-15H2;1-7,9-11,13H,12,14H2;/q-2;-1;+3.
What are the key properties of iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine?
iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine has a molecular weight of 740.88 g/mol, XLogP of 7.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine is sourced from PubChem (CID 58621573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).