4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium

C12H9FIrN2-2 — CID 58517630

IUPAC4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
SMILESCN1C=C2C(F)=Cc3ccc[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C12H9FN2.Ir/c1-14-7-12-10(13)6-9-4-2-3-5-11(9)15(12)8-14;/h2-4,6-8H,1H3;/q-2;
InChIKeyMILAMQXUUOFUPX-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.52
Rot. Bonds

About 4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium

4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium (PubChem CID 58517630) has the molecular formula C12H9FIrN2-2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium.

Molecular Properties

Compound Name4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
PubChem CID58517630
Molecular FormulaC12H9FIrN2-2
Molecular Weight392.43 g/mol
Exact Mass393.04
IUPAC Name4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
SMILESCN1C=C2C(F)=Cc3ccc[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C12H9FN2.Ir/c1-14-7-12-10(13)6-9-4-2-3-5-11(9)15(12)8-14;/h2-4,6-8H,1H3;/q-2;
InChIKeyMILAMQXUUOFUPX-UHFFFAOYSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.52
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

1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)
CID 59403993
iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide
CID 59404015
11,13-Difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene
CID 118119443
1,4-Diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene
CID 123614469
1-ethyl-3-[2-(4-fluorobenzene-6-id-1-yl)propan-2-yl]-2H-imidazol-2-ide;iridium
CID 58107096
CID 58517596
CID 58517596
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
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
2,5-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517885

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The IUPAC name of 4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium (CID 58517630) is 4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium.
What is the SMILES notation for 4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The canonical SMILES for 4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium is CN1C=C2C(F)=Cc3ccc[c-]c3N2[CH-]1.[Ir].
What is the InChIKey of 4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The InChIKey is MILAMQXUUOFUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2.Ir/c1-14-7-12-10(13)6-9-4-2-3-5-11(9)15(12)8-14;/h2-4,6-8H,1H3;/q-2;.
What are the key properties of 4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium has a molecular weight of 392.43 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium is sourced from PubChem (CID 58517630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).