iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline

C31H22IrN4-2 — CID 58421061

IUPACiridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline
SMILESCc1cccc(-c2[c-]cccc2)n1.[Ir].[c-]1ccccc1-c1cc(-c2cnc3ccccc3n2)ccn1
InChIInChI=1S/C19H12N3.C12H10N.Ir/c1-2-6-14(7-3-1)18-12-15(10-11-20-18)19-13-21-16-8-4-5-9-17(16)22-19;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;/h1-6,8-13H;2-7,9H,1H3;/q2*-1;
InChIKeyCSXPFOQETXXVKW-UHFFFAOYSA-N
MW642.76 g/mol
LogP7.01
Rot. Bonds3

About iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline

iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline (PubChem CID 58421061) has the molecular formula C31H22IrN4-2 and a molecular weight of 642.76 g/mol. Its IUPAC name is iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline.

Molecular Properties

Compound Nameiridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline
PubChem CID58421061
Molecular FormulaC31H22IrN4-2
Molecular Weight642.76 g/mol
Exact Mass643.15
IUPAC Nameiridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline
SMILESCc1cccc(-c2[c-]cccc2)n1.[Ir].[c-]1ccccc1-c1cc(-c2cnc3ccccc3n2)ccn1
InChIInChI=1S/C19H12N3.C12H10N.Ir/c1-2-6-14(7-3-1)18-12-15(10-11-20-18)19-13-21-16-8-4-5-9-17(16)22-19;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;/h1-6,8-13H;2-7,9H,1H3;/q2*-1;
InChIKeyCSXPFOQETXXVKW-UHFFFAOYSA-N
XLogP7.01
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,3-Dipyridyl-6,7-dimethylquinoxaline
CID 81109
Usambarensine
CID 5281413
4-[1-ethyl-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 11012564
(R)-6-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)quinoxaline
CID 11646364
2,3-Bis(2-pyridyl)quinoxaline
CID 97023
9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
2-Methyl-9-[9-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)nonyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223338
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
2-Phenyl-1,5-naphthyridine
CID 12342715
Bis(1,10-phenanthroline)copper(2+)
CID 146186
2-(3-Pyridinyl)quinoxaline
CID 4246168

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline?
The IUPAC name of iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline (CID 58421061) is iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline.
What is the SMILES notation for iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline?
The canonical SMILES for iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline is Cc1cccc(-c2[c-]cccc2)n1.[Ir].[c-]1ccccc1-c1cc(-c2cnc3ccccc3n2)ccn1.
What is the InChIKey of iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline?
The InChIKey is CSXPFOQETXXVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N3.C12H10N.Ir/c1-2-6-14(7-3-1)18-12-15(10-11-20-18)19-13-21-16-8-4-5-9-17(16)22-19;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;/h1-6,8-13H;2-7,9H,1H3;/q2*-1;.
What are the key properties of iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline?
iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline has a molecular weight of 642.76 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline is sourced from PubChem (CID 58421061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).