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

C31H26IrN2-2 — CID 153412535

IUPACiridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
SMILESCc1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir]
InChIInChI=1S/C18H14N.C13H12N.Ir/c1-14-13-19-18(16-10-6-3-7-11-16)12-17(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;/i;2D3;
InChIKeyGILQXCKQKKDEIF-KLPANOOASA-N
MW621.80 g/mol
LogP7.69
Rot. Bonds4

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

iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 153412535) has the molecular formula C31H26IrN2-2 and a molecular weight of 621.80 g/mol. Its IUPAC name is iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Nameiridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
PubChem CID153412535
Molecular FormulaC31H26IrN2-2
Molecular Weight621.80 g/mol
Exact Mass622.19
IUPAC Nameiridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
SMILESCc1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir]
InChIInChI=1S/C18H14N.C13H12N.Ir/c1-14-13-19-18(16-10-6-3-7-11-16)12-17(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;/i;2D3;
InChIKeyGILQXCKQKKDEIF-KLPANOOASA-N
XLogP7.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.80
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;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
CID 153412555
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
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
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium
CID 168794119
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
4-(3,5-ditert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine;iridium;2-phenylpyridine
CID 169017950
iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578426
iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenyl-4-tetraphenylen-2-ylpyridine
CID 164939579
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140719052

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine?
The IUPAC name of iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine (CID 153412535) is iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine?
The canonical SMILES for iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine is Cc1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].
What is the InChIKey of iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine?
The InChIKey is GILQXCKQKKDEIF-KLPANOOASA-N. The full InChI is InChI=1S/C18H14N.C13H12N.Ir/c1-14-13-19-18(16-10-6-3-7-11-16)12-17(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;/i;2D3;.
What are the key properties of iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine?
iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 621.80 g/mol, XLogP of 7.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 153412535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).