iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine

C24H21IrN2- — CID 166502338

IUPACiridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine
SMILESCc1cc[c-]c(-c2ccccn2)c1.Cc1ccccc1-c1ccccn1.[Ir]
InChIInChI=1S/C12H10N.C12H11N.Ir/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;/h2-5,7-9H,1H3;2-9H,1H3;/q-1;;
InChIKeyAYTLJDOAFNVMLQ-UHFFFAOYSA-N
MW529.66 g/mol
LogP5.91
Rot. Bonds2

About iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine

iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine (PubChem CID 166502338) has the molecular formula C24H21IrN2- and a molecular weight of 529.66 g/mol. Its IUPAC name is iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine.

Molecular Properties

Compound Nameiridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine
PubChem CID166502338
Molecular FormulaC24H21IrN2-
Molecular Weight529.66 g/mol
Exact Mass530.13
IUPAC Nameiridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine
SMILESCc1cc[c-]c(-c2ccccn2)c1.Cc1ccccc1-c1ccccn1.[Ir]
InChIInChI=1S/C12H10N.C12H11N.Ir/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;/h2-5,7-9H,1H3;2-9H,1H3;/q-1;;
InChIKeyAYTLJDOAFNVMLQ-UHFFFAOYSA-N
XLogP5.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.66
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-(2-methylphenyl)pyridine
CID 144596153
iridium;3-(3-methylbenzene-6-id-1-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;2-pyridin-2-ylpyridine
CID 59621959
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 156686689
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
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
N,N-bis(3-methylphenyl)-3-pyridin-2-ylbenzene-4-id-1-amine;iridium
CID 21042165
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine
CID 140595043

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine?
The IUPAC name of iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine (CID 166502338) is iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine.
What is the SMILES notation for iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine?
The canonical SMILES for iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine is Cc1cc[c-]c(-c2ccccn2)c1.Cc1ccccc1-c1ccccn1.[Ir].
What is the InChIKey of iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine?
The InChIKey is AYTLJDOAFNVMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N.C12H11N.Ir/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;/h2-5,7-9H,1H3;2-9H,1H3;/q-1;;.
What are the key properties of iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine?
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine has a molecular weight of 529.66 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine is sourced from PubChem (CID 166502338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).