iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine

C24H21IrN2- — CID 157060689

IUPACiridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine
SMILESCc1cccnc1-c1[c-]cccc1.[2H]C([2H])([2H])c1cccnc1-c1ccccc1.[Ir]
InChIInChI=1S/C12H11N.C12H10N.Ir/c2*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h2-9H,1H3;2-7,9H,1H3;/q;-1;/i1D3;;
InChIKeySTYIKMUEYYFQIK-GXXYEPOPSA-N
MW532.68 g/mol
LogP5.91
Rot. Bonds3

About iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine

iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine (PubChem CID 157060689) has the molecular formula C24H21IrN2- and a molecular weight of 532.68 g/mol. Its IUPAC name is iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Nameiridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine
PubChem CID157060689
Molecular FormulaC24H21IrN2-
Molecular Weight532.68 g/mol
Exact Mass533.15
IUPAC Nameiridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine
SMILESCc1cccnc1-c1[c-]cccc1.[2H]C([2H])([2H])c1cccnc1-c1ccccc1.[Ir]
InChIInChI=1S/C12H11N.C12H10N.Ir/c2*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h2-9H,1H3;2-7,9H,1H3;/q;-1;/i1D3;;
InChIKeySTYIKMUEYYFQIK-GXXYEPOPSA-N
XLogP5.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 55.91
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-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium
CID 140587226
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412535
ethane;3-methyl-2-phenylpyridine;pentane
CID 155691053
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
CID 153412555
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163651654
2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;3-methyl-2-phenylpyridine
CID 153423506
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
iridium;7-phenyl-4-phenylbenzo[f]isoquinoline
CID 59470319
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074

Frequently Asked Questions

What is the IUPAC name of iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine?
The IUPAC name of iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine (CID 157060689) is iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine.
What is the SMILES notation for iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine?
The canonical SMILES for iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine is Cc1cccnc1-c1[c-]cccc1.[2H]C([2H])([2H])c1cccnc1-c1ccccc1.[Ir].
What is the InChIKey of iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine?
The InChIKey is STYIKMUEYYFQIK-GXXYEPOPSA-N. The full InChI is InChI=1S/C12H11N.C12H10N.Ir/c2*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h2-9H,1H3;2-7,9H,1H3;/q;-1;/i1D3;;.
What are the key properties of iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine?
iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine has a molecular weight of 532.68 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine is sourced from PubChem (CID 157060689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).