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

C13H12IrN2-2 — CID 58517691

IUPAC2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
SMILESCCN1C=C2C=Cc3ccc[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C13H12N2.Ir/c1-2-14-9-12-8-7-11-5-3-4-6-13(11)15(12)10-14;/h3-5,7-10H,2H2,1H3;/q-2;
InChIKeyOOTWTMCRLDDCTP-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.61
Rot. Bonds1

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

2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium (PubChem CID 58517691) has the molecular formula C13H12IrN2-2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium.

Molecular Properties

Compound Name2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
PubChem CID58517691
Molecular FormulaC13H12IrN2-2
Molecular Weight388.47 g/mol
Exact Mass389.06
IUPAC Name2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
SMILESCCN1C=C2C=Cc3ccc[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C13H12N2.Ir/c1-2-14-9-12-8-7-11-5-3-4-6-13(11)15(12)10-14;/h3-5,7-10H,2H2,1H3;/q-2;
InChIKeyOOTWTMCRLDDCTP-UHFFFAOYSA-N
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.61
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

iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide
CID 59404015
1,4-Diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene
CID 123614469
CID 58517596
CID 58517596
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
Iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58517699
2-Ethyl-5,7-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517770
2,3-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517778
Iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide
CID 58517807
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The IUPAC name of 2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium (CID 58517691) is 2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium.
What is the SMILES notation for 2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The canonical SMILES for 2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium is CCN1C=C2C=Cc3ccc[c-]c3N2[CH-]1.[Ir].
What is the InChIKey of 2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The InChIKey is OOTWTMCRLDDCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.Ir/c1-2-14-9-12-8-7-11-5-3-4-6-13(11)15(12)10-14;/h3-5,7-10H,2H2,1H3;/q-2;.
What are the key properties of 2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium has a molecular weight of 388.47 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium is sourced from PubChem (CID 58517691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).