iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide

C11H9IrN3-2 — CID 58517807

IUPACiridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide
SMILESCN1C=C2N=Cc3ccc[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C11H9N3.Ir/c1-13-7-11-12-6-9-4-2-3-5-10(9)14(11)8-13;/h2-4,6-8H,1H3;/q-2;
InChIKeyNHZIMZKANZTANI-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.59
Rot. Bonds

About iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide

iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide (PubChem CID 58517807) has the molecular formula C11H9IrN3-2 and a molecular weight of 375.43 g/mol. Its IUPAC name is iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide.

Molecular Properties

Compound Nameiridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide
PubChem CID58517807
Molecular FormulaC11H9IrN3-2
Molecular Weight375.43 g/mol
Exact Mass376.04
IUPAC Nameiridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide
SMILESCN1C=C2N=Cc3ccc[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C11H9N3.Ir/c1-13-7-11-12-6-9-4-2-3-5-10(9)14(11)8-13;/h2-4,6-8H,1H3;/q-2;
InChIKeyNHZIMZKANZTANI-UHFFFAOYSA-N
XLogP1.59
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-Methylpyrrolo[3,4-h]quinoline
CID 129781803
3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-4H-pyridin-4-ide;iridium
CID 58106664
3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium
CID 58106945
4-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-3H-pyridin-3-ide;iridium
CID 58107074
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-1,9-dihydroimidazo[1,5-a][1,6]naphthyridine-1,9-diide
CID 58517868
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
Iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58518092
Iridium;2-methyl-1,9-dihydroimidazo[1,5-a][1,5]naphthyridine-1,9-diide
CID 58518103
3,12,14-Triazatetracyclo[7.7.0.02,6.010,14]hexadeca-1,3,5,7,9,11,15-heptaene
CID 69616118

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide?
The IUPAC name of iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide (CID 58517807) is iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide.
What is the SMILES notation for iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide?
The canonical SMILES for iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide is CN1C=C2N=Cc3ccc[c-]c3N2[CH-]1.[Ir].
What is the InChIKey of iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide?
The InChIKey is NHZIMZKANZTANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3.Ir/c1-13-7-11-12-6-9-4-2-3-5-10(9)14(11)8-13;/h2-4,6-8H,1H3;/q-2;.
What are the key properties of iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide?
iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide has a molecular weight of 375.43 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinazoline-1,9-diide is sourced from PubChem (CID 58517807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).