2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

C17H21IrN2- — CID 140688538

IUPAC2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILESCc1nc2n(c1C)C(C)(C)C(C)(C)c1ccc[c-]c1-2.[Ir]
InChIInChI=1S/C17H21N2.Ir/c1-11-12(2)19-15(18-11)13-9-7-8-10-14(13)16(3,4)17(19,5)6;/h7-8,10H,1-6H3;/q-1;
InChIKeyLZVDLWSYKFLRTK-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.99
Rot. Bonds

About 2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (PubChem CID 140688538) has the molecular formula C17H21IrN2- and a molecular weight of 445.59 g/mol. Its IUPAC name is 2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.

Molecular Properties

Compound Name2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
PubChem CID140688538
Molecular FormulaC17H21IrN2-
Molecular Weight445.59 g/mol
Exact Mass446.13
IUPAC Name2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILESCc1nc2n(c1C)C(C)(C)C(C)(C)c1ccc[c-]c1-2.[Ir]
InChIInChI=1S/C17H21N2.Ir/c1-11-12(2)19-15(18-11)13-9-7-8-10-14(13)16(3,4)17(19,5)6;/h7-8,10H,1-6H3;/q-1;
InChIKeyLZVDLWSYKFLRTK-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.99
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

2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium
CID 140688498
2,3-dimethylspiro[imidazo[1,2-c][1,3]benzoxazine-5,9'-xanthene]
CID 140688464
CID 140687843
CID 140687843
CID 164734290
CID 164734290
[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide
CID 58881158
iridium;3,3,4,4-tetramethyl-2-phenylquinoline
CID 58982990
15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium
CID 155617855
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
CID 58401833
2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole
CID 23387153
3,3-dimethyl-2-phenylindole;iridium
CID 21014664
1,1-dimethyl-3-phenylisoindole;iridium
CID 21063359
CID 59865379
CID 59865379

Frequently Asked Questions

What is the IUPAC name of 2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The IUPAC name of 2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (CID 140688538) is 2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.
What is the SMILES notation for 2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The canonical SMILES for 2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is Cc1nc2n(c1C)C(C)(C)C(C)(C)c1ccc[c-]c1-2.[Ir].
What is the InChIKey of 2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The InChIKey is LZVDLWSYKFLRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N2.Ir/c1-11-12(2)19-15(18-11)13-9-7-8-10-14(13)16(3,4)17(19,5)6;/h7-8,10H,1-6H3;/q-1;.
What are the key properties of 2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium has a molecular weight of 445.59 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5,6,6-hexamethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 140688538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).