iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide

C21H14IrN4-2 — CID 140806316

IUPACiridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide
SMILES[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C21H14N4.Ir/c1-3-9-16(10-4-1)24-15-25(17-11-5-2-6-12-17)21-20(24)22-18-13-7-8-14-19(18)23-21;/h1-11,13-15H;/q-2;
InChIKeyLGSWQSLSYOHXBD-UHFFFAOYSA-N
MW514.59 g/mol
LogP4.84
Rot. Bonds2

About iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide

iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide (PubChem CID 140806316) has the molecular formula C21H14IrN4-2 and a molecular weight of 514.59 g/mol. Its IUPAC name is iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide.

Molecular Properties

Compound Nameiridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide
PubChem CID140806316
Molecular FormulaC21H14IrN4-2
Molecular Weight514.59 g/mol
Exact Mass515.09
IUPAC Nameiridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide
SMILES[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C21H14N4.Ir/c1-3-9-16(10-4-1)24-15-25(17-11-5-2-6-12-17)21-20(24)22-18-13-7-8-14-19(18)23-21;/h1-11,13-15H;/q-2;
InChIKeyLGSWQSLSYOHXBD-UHFFFAOYSA-N
XLogP4.84
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 54.84
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

pentakis(iridium);1-phenyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenyl-3-phenyl-2H-benzo[f]benzimidazol-2-ide);pentakis(1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide);bis(1-phenyl-3-phenyl-2H-imidazol-2-ide)
CID 158803575
[2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium
CID 154618964
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium
CID 140837724
3-diphenylphosphoryl-2H-naphthalen-2-ide;iridium(3+);1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 164702160
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 172522404
5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 159971487
1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium
CID 140677085
tetrakis(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);tetrakis(iridium);bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);bis(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide)
CID 158021693
N,N-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-amine;tetrakis(iridium);N,N,1-triphenyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-5-amine;N,N,1-triphenyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-amine;N,N,1-triphenyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-7-amine
CID 162162649
lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
CID 170209546
3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide
CID 159417650

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide?
The IUPAC name of iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide (CID 140806316) is iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide.
What is the SMILES notation for iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide?
The canonical SMILES for iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide is [Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide?
The InChIKey is LGSWQSLSYOHXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4.Ir/c1-3-9-16(10-4-1)24-15-25(17-11-5-2-6-12-17)21-20(24)22-18-13-7-8-14-19(18)23-21;/h1-11,13-15H;/q-2;.
What are the key properties of iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide?
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide has a molecular weight of 514.59 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide is sourced from PubChem (CID 140806316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).