iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine

C29H23IrN3-2 — CID 153412527

IUPACiridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccn1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C17H13N2.C12H10N.Ir/c1-13-11-17(14-7-3-2-4-8-14)19-12-15(13)16-9-5-6-10-18-16;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h2-7,9-12H,1H3;2-5,7-9H,1H3;/q2*-1;/i;1D3;
InChIKeyVKPLOVUMVGGYJX-ICMJTWPQSA-N
MW608.76 g/mol
LogP6.77
Rot. Bonds4

About iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine

iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 153412527) has the molecular formula C29H23IrN3-2 and a molecular weight of 608.76 g/mol. Its IUPAC name is iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Nameiridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
PubChem CID153412527
Molecular FormulaC29H23IrN3-2
Molecular Weight608.76 g/mol
Exact Mass609.17
IUPAC Nameiridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccn1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C17H13N2.C12H10N.Ir/c1-13-11-17(14-7-3-2-4-8-14)19-12-15(13)16-9-5-6-10-18-16;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h2-7,9-12H,1H3;2-5,7-9H,1H3;/q2*-1;/i;1D3;
InChIKeyVKPLOVUMVGGYJX-ICMJTWPQSA-N
XLogP6.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.76
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
tetrakis(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine;tris(2-phenylpyridine)
CID 158811687
iridium;4-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 172506536
tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 159084332
pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
CID 162204735
tetrakis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 160684487
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 162098213
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine?
The IUPAC name of iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine (CID 153412527) is iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine?
The canonical SMILES for iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccn1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine?
The InChIKey is VKPLOVUMVGGYJX-ICMJTWPQSA-N. The full InChI is InChI=1S/C17H13N2.C12H10N.Ir/c1-13-11-17(14-7-3-2-4-8-14)19-12-15(13)16-9-5-6-10-18-16;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h2-7,9-12H,1H3;2-5,7-9H,1H3;/q2*-1;/i;1D3;.
What are the key properties of iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine?
iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 608.76 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 153412527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).