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

C31H26IrN2-2 — CID 153412555

IUPACiridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir]
InChIInChI=1S/C18H14N.C13H12N.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h2-10,12-13H,1H3;3-6,8-9H,1-2H3;/q2*-1;/i1D3;2D3;
InChIKeyNAXADXBONRYNCN-LPLFCCKOSA-N
MW624.82 g/mol
LogP7.69
Rot. Bonds5

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

iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine (PubChem CID 153412555) has the molecular formula C31H26IrN2-2 and a molecular weight of 624.82 g/mol. Its IUPAC name is iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Nameiridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
PubChem CID153412555
Molecular FormulaC31H26IrN2-2
Molecular Weight624.82 g/mol
Exact Mass625.21
IUPAC Nameiridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir]
InChIInChI=1S/C18H14N.C13H12N.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h2-10,12-13H,1H3;3-6,8-9H,1-2H3;/q2*-1;/i1D3;2D3;
InChIKeyNAXADXBONRYNCN-LPLFCCKOSA-N
XLogP7.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.82
LogP ≤ 57.69
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

iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412535
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
4-[dideuterio(phenyl)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;iridium;4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 162707508
4-(3,5-ditert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine;iridium
CID 170655069
carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium
CID 168794119
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140719052
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
iridium;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-methyl-5-phenyl-2-phenylpyridine
CID 140847681
2-[7,8-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-2-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 162708526
iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
CID 168821601

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine?
The IUPAC name of iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine (CID 153412555) is iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine.
What is the SMILES notation for iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine?
The canonical SMILES for iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].
What is the InChIKey of iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine?
The InChIKey is NAXADXBONRYNCN-LPLFCCKOSA-N. The full InChI is InChI=1S/C18H14N.C13H12N.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h2-10,12-13H,1H3;3-6,8-9H,1-2H3;/q2*-1;/i1D3;2D3;.
What are the key properties of iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine?
iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine has a molecular weight of 624.82 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 153412555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).