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

C14H14IrN2-2 — CID 58517932

IUPACiridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
SMILESCCCN1C=C2C=Cc3ccc[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C14H14N2.Ir/c1-2-9-15-10-13-8-7-12-5-3-4-6-14(12)16(13)11-15;/h3-5,7-8,10-11H,2,9H2,1H3;/q-2;
InChIKeyCYWRVWUKOJNJOL-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.00
Rot. Bonds2

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

iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide (PubChem CID 58517932) has the molecular formula C14H14IrN2-2 and a molecular weight of 402.50 g/mol. Its IUPAC name is iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide.

Molecular Properties

Compound Nameiridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
PubChem CID58517932
Molecular FormulaC14H14IrN2-2
Molecular Weight402.50 g/mol
Exact Mass403.08
IUPAC Nameiridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
SMILESCCCN1C=C2C=Cc3ccc[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C14H14N2.Ir/c1-2-9-15-10-13-8-7-12-5-3-4-6-14(12)16(13)11-15;/h3-5,7-8,10-11H,2,9H2,1H3;/q-2;
InChIKeyCYWRVWUKOJNJOL-UHFFFAOYSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.00
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
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
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

Frequently Asked Questions

What is the IUPAC name of iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The IUPAC name of iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide (CID 58517932) is iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide.
What is the SMILES notation for iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The canonical SMILES for iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide is CCCN1C=C2C=Cc3ccc[c-]c3N2[CH-]1.[Ir].
What is the InChIKey of iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The InChIKey is CYWRVWUKOJNJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.Ir/c1-2-9-15-10-13-8-7-12-5-3-4-6-14(12)16(13)11-15;/h3-5,7-8,10-11H,2,9H2,1H3;/q-2;.
What are the key properties of iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide has a molecular weight of 402.50 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide is sourced from PubChem (CID 58517932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).