iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide

C16H20IrN2-2 — CID 155791447

IUPACiridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
SMILES[2H]C([2H])([2H])N1C=C2N([CH-]1)c1[c-]cccc1C(C)(C)C2(C)C.[Ir]
InChIInChI=1S/C16H20N2.Ir/c1-15(2)12-8-6-7-9-13(12)18-11-17(5)10-14(18)16(15,3)4;/h6-8,10-11H,1-5H3;/q-2;/i5D3;
InChIKeyVARAJLFEOUFUEX-OWKBQAHQSA-N
MW435.59 g/mol
LogP3.51
Rot. Bonds1

About iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide

iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide (PubChem CID 155791447) has the molecular formula C16H20IrN2-2 and a molecular weight of 435.59 g/mol. Its IUPAC name is iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide.

Molecular Properties

Compound Nameiridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
PubChem CID155791447
Molecular FormulaC16H20IrN2-2
Molecular Weight435.59 g/mol
Exact Mass436.15
IUPAC Nameiridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
SMILES[2H]C([2H])([2H])N1C=C2N([CH-]1)c1[c-]cccc1C(C)(C)C2(C)C.[Ir]
InChIInChI=1S/C16H20N2.Ir/c1-15(2)12-8-6-7-9-13(12)18-11-17(5)10-14(18)16(15,3)4;/h6-8,10-11H,1-5H3;/q-2;/i5D3;
InChIKeyVARAJLFEOUFUEX-OWKBQAHQSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The IUPAC name of iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide (CID 155791447) is iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide.
What is the SMILES notation for iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The canonical SMILES for iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide is [2H]C([2H])([2H])N1C=C2N([CH-]1)c1[c-]cccc1C(C)(C)C2(C)C.[Ir].
What is the InChIKey of iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The InChIKey is VARAJLFEOUFUEX-OWKBQAHQSA-N. The full InChI is InChI=1S/C16H20N2.Ir/c1-15(2)12-8-6-7-9-13(12)18-11-17(5)10-14(18)16(15,3)4;/h6-8,10-11H,1-5H3;/q-2;/i5D3;.
What are the key properties of iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide has a molecular weight of 435.59 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide is sourced from PubChem (CID 155791447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).