iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine

C20H22IrNO2- — CID 58435106

IUPACiridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
SMILESCO.CO.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir]
InChIInChI=1S/C18H14N.2CH4O.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;2*1-2;/h2-10,12-13H,1H3;2*2H,1H3;/q-1;;;
InChIKeyKBNNLSUZDFVAPU-UHFFFAOYSA-N
MW500.62 g/mol
LogP3.74
Rot. Bonds2

About iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine

iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine (PubChem CID 58435106) has the molecular formula C20H22IrNO2- and a molecular weight of 500.62 g/mol. Its IUPAC name is iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine.

Molecular Properties

Compound Nameiridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
PubChem CID58435106
Molecular FormulaC20H22IrNO2-
Molecular Weight500.62 g/mol
Exact Mass501.13
IUPAC Nameiridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
SMILESCO.CO.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir]
InChIInChI=1S/C18H14N.2CH4O.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;2*1-2;/h2-10,12-13H,1H3;2*2H,1H3;/q-1;;;
InChIKeyKBNNLSUZDFVAPU-UHFFFAOYSA-N
XLogP3.74
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.62
LogP ≤ 53.74
H-Bond Donors ≤ 52
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-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
CID 153412555
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140719052
iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412535
iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
CID 168821601
iridium;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-methyl-5-phenyl-2-phenylpyridine
CID 140847681
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
2-(3-benzyl-4-methylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;5-methyl-2-phenylpyridine
CID 162709141

Frequently Asked Questions

What is the IUPAC name of iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine?
The IUPAC name of iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine (CID 58435106) is iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine.
What is the SMILES notation for iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine?
The canonical SMILES for iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine is CO.CO.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].
What is the InChIKey of iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine?
The InChIKey is KBNNLSUZDFVAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N.2CH4O.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;2*1-2;/h2-10,12-13H,1H3;2*2H,1H3;/q-1;;;.
What are the key properties of iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine?
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine has a molecular weight of 500.62 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine is sourced from PubChem (CID 58435106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).