2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium

C15H16IrN2-2 — CID 58517770

IUPAC2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
SMILESCCN1C=C2C=C(C)c3cc(C)c[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C15H16N2.Ir/c1-4-16-9-13-8-12(3)14-7-11(2)5-6-15(14)17(13)10-16;/h5,7-10H,4H2,1-3H3;/q-2;
InChIKeyIZRQCCIUMCOAOX-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.31
Rot. Bonds1

About 2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium

2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium (PubChem CID 58517770) has the molecular formula C15H16IrN2-2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
PubChem CID58517770
Molecular FormulaC15H16IrN2-2
Molecular Weight416.52 g/mol
Exact Mass417.10
IUPAC Name2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
SMILESCCN1C=C2C=C(C)c3cc(C)c[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C15H16N2.Ir/c1-4-16-9-13-8-12(3)14-7-11(2)5-6-15(14)17(13)10-16;/h5,7-10H,4H2,1-3H3;/q-2;
InChIKeyIZRQCCIUMCOAOX-UHFFFAOYSA-N
XLogP3.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.31
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

4-Fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517630
2,6-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517673
2-Ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517691
2,5-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517885
2,4-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517892
Iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58517932
2-Methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;platinum(2+)
CID 58517990
Iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58518018
CID 58518027
CID 58518027
Iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58518092
1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium
CID 58978570
1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium
CID 59404002

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The IUPAC name of 2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium (CID 58517770) is 2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The canonical SMILES for 2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium is CCN1C=C2C=C(C)c3cc(C)c[c-]c3N2[CH-]1.[Ir].
What is the InChIKey of 2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The InChIKey is IZRQCCIUMCOAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2.Ir/c1-4-16-9-13-8-12(3)14-7-11(2)5-6-15(14)17(13)10-16;/h5,7-10H,4H2,1-3H3;/q-2;.
What are the key properties of 2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium has a molecular weight of 416.52 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium is sourced from PubChem (CID 58517770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).