5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine

C29H22IrN2-2 — CID 162709590

IUPAC5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine
SMILES[2H]C([2H])(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H14N.C11H8N.Ir/c1-3-7-15(8-4-1)13-16-11-12-18(19-14-16)17-9-5-2-6-10-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-9,11-12,14H,13H2;1-6,8-9H;/q2*-1;/i13D2;;
InChIKeyQAPFXKKUXMYVKN-DKGKLUEFSA-N
MW592.74 g/mol
LogP6.69
Rot. Bonds4

About 5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine

5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine (PubChem CID 162709590) has the molecular formula C29H22IrN2-2 and a molecular weight of 592.74 g/mol. Its IUPAC name is 5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine
PubChem CID162709590
Molecular FormulaC29H22IrN2-2
Molecular Weight592.74 g/mol
Exact Mass593.15
IUPAC Name5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine
SMILES[2H]C([2H])(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H14N.C11H8N.Ir/c1-3-7-15(8-4-1)13-16-11-12-18(19-14-16)17-9-5-2-6-10-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-9,11-12,14H,13H2;1-6,8-9H;/q2*-1;/i13D2;;
InChIKeyQAPFXKKUXMYVKN-DKGKLUEFSA-N
XLogP6.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium
CID 162708010
iridium(3+);2-phenyl-5-[6-(6-phenyl-3-pyridinyl)hexyl]pyridine;2-phenylpyridine
CID 155607489
iridium;tris(2-phenylpyridine)
CID 23386734
bis(5-ethyl-2-phenylpyridine);iridium;methanol
CID 165162090
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162709659
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
chlorozinc(1+);2-phenylpyridine
CID 59773311
4-[dideuterio(phenyl)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenylpyridine
CID 162707434
4-[6-[5-(4-carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;iridium;2-phenylpyridine
CID 170523980
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58421120

Frequently Asked Questions

What is the IUPAC name of 5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine?
The IUPAC name of 5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine (CID 162709590) is 5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine.
What is the SMILES notation for 5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine?
The canonical SMILES for 5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine is [2H]C([2H])(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine?
The InChIKey is QAPFXKKUXMYVKN-DKGKLUEFSA-N. The full InChI is InChI=1S/C18H14N.C11H8N.Ir/c1-3-7-15(8-4-1)13-16-11-12-18(19-14-16)17-9-5-2-6-10-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-9,11-12,14H,13H2;1-6,8-9H;/q2*-1;/i13D2;;.
What are the key properties of 5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine?
5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine has a molecular weight of 592.74 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 162709590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).