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

C13H12IrN2-2 — CID 58517885

IUPAC2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
SMILESCC1=CC2=CN(C)[CH-]N2c2[c-]cccc21.[Ir]
InChIInChI=1S/C13H12N2.Ir/c1-10-7-11-8-14(2)9-15(11)13-6-4-3-5-12(10)13;/h3-5,7-9H,1-2H3;/q-2;
InChIKeyHWEGFQNIVPNORI-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.61
Rot. Bonds

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

2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium (PubChem CID 58517885) has the molecular formula C13H12IrN2-2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium.

Molecular Properties

Compound Name2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
PubChem CID58517885
Molecular FormulaC13H12IrN2-2
Molecular Weight388.47 g/mol
Exact Mass389.06
IUPAC Name2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
SMILESCC1=CC2=CN(C)[CH-]N2c2[c-]cccc21.[Ir]
InChIInChI=1S/C13H12N2.Ir/c1-10-7-11-8-14(2)9-15(11)13-6-4-3-5-12(10)13;/h3-5,7-9H,1-2H3;/q-2;
InChIKeyHWEGFQNIVPNORI-UHFFFAOYSA-N
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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

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-Azatetracyclo[7.5.1.05,15.010,14]pentadeca-2,5(15),6,9,11,13-hexaene
CID 21887431
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
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
5-Tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517740
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
2,4-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517892

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The IUPAC name of 2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium (CID 58517885) is 2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium.
What is the SMILES notation for 2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The canonical SMILES for 2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium is CC1=CC2=CN(C)[CH-]N2c2[c-]cccc21.[Ir].
What is the InChIKey of 2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The InChIKey is HWEGFQNIVPNORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.Ir/c1-10-7-11-8-14(2)9-15(11)13-6-4-3-5-12(10)13;/h3-5,7-9H,1-2H3;/q-2;.
What are the key properties of 2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium has a molecular weight of 388.47 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium is sourced from PubChem (CID 58517885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).