bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide

C32H20Ir2N4-2 — CID 162219819

IUPACbis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide
SMILES[Ir].[Ir].[c-]1cc2ccccc2nc1-c1ccc2ccccc2n1.[c-]1cccnc1-c1ccc2ccccc2n1
InChIInChI=1S/C18H11N2.C14H9N2.2Ir/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13;;/h1-11H;1-6,8-10H;;/q2*-1;;
InChIKeyHMRBUUFDGTXEIW-UHFFFAOYSA-N
MW844.97 g/mol
LogP7.34
Rot. Bonds2

About bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide

bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide (PubChem CID 162219819) has the molecular formula C32H20Ir2N4-2 and a molecular weight of 844.97 g/mol. Its IUPAC name is bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide.

Molecular Properties

Compound Namebis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide
PubChem CID162219819
Molecular FormulaC32H20Ir2N4-2
Molecular Weight844.97 g/mol
Exact Mass846.10
IUPAC Namebis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide
SMILES[Ir].[Ir].[c-]1cc2ccccc2nc1-c1ccc2ccccc2n1.[c-]1cccnc1-c1ccc2ccccc2n1
InChIInChI=1S/C18H11N2.C14H9N2.2Ir/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13;;/h1-11H;1-6,8-10H;;/q2*-1;;
InChIKeyHMRBUUFDGTXEIW-UHFFFAOYSA-N
XLogP7.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.97
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide with MolForge

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Related Compounds

2-(3H-pyridin-3-id-2-yl)-3H-quinolin-3-ide;yttrium
CID 168765696
tris(iridium);6-phenylphenanthridine;6-(3H-pyridin-3-id-2-yl)phenanthridine;6-(3H-quinolin-3-id-2-yl)phenanthridine
CID 161392879
carbanide;iridium;2-phenylquinoline;yttrium
CID 59824492
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
carbanide;2-phenylquinoline;platinum
CID 21044184
2-(4-chloropyrimidin-2-yl)quinoline
CID 63222790
iridium;tris(2-phenylquinoline)
CID 122129463
butan-2-ol;iridium;2-phenylquinoline
CID 155610243
palladium;2-phenyl-3H-pyridin-3-ide
CID 174456271
4-quinolin-2-ylpyridin-2-amine
CID 82556017
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786

Frequently Asked Questions

What is the IUPAC name of bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide?
The IUPAC name of bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide (CID 162219819) is bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide.
What is the SMILES notation for bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide?
The canonical SMILES for bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide is [Ir].[Ir].[c-]1cc2ccccc2nc1-c1ccc2ccccc2n1.[c-]1cccnc1-c1ccc2ccccc2n1.
What is the InChIKey of bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide?
The InChIKey is HMRBUUFDGTXEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N2.C14H9N2.2Ir/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13;;/h1-11H;1-6,8-10H;;/q2*-1;;.
What are the key properties of bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide?
bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide has a molecular weight of 844.97 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iridium);2-(3H-pyridin-3-id-2-yl)quinoline;2-quinolin-2-yl-3H-quinolin-3-ide is sourced from PubChem (CID 162219819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).