10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine

C26H17IrN3-2 — CID 58517580

IUPAC10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine
SMILES[Ir].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1cccc2ccn3ccnc3c12
InChIInChI=1S/C15H10N.C11H7N2.Ir/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-8,10-11H;1-3,5-8H;/q2*-1;
InChIKeyLMXSOXJWWPLHCX-UHFFFAOYSA-N
MW563.66 g/mol
LogP5.99
Rot. Bonds1

About 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine

10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine (PubChem CID 58517580) has the molecular formula C26H17IrN3-2 and a molecular weight of 563.66 g/mol. Its IUPAC name is 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine.

Molecular Properties

Compound Name10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine
PubChem CID58517580
Molecular FormulaC26H17IrN3-2
Molecular Weight563.66 g/mol
Exact Mass564.11
IUPAC Name10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine
SMILES[Ir].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1cccc2ccn3ccnc3c12
InChIInChI=1S/C15H10N.C11H7N2.Ir/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-8,10-11H;1-3,5-8H;/q2*-1;
InChIKeyLMXSOXJWWPLHCX-UHFFFAOYSA-N
XLogP5.99
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 55.99
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

10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+);pyridine;cyanide
CID 58517492
iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
CID 164702305
2-fluoro-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
CID 58518113
bis(2-(2H-naphthalen-2-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621902
bis(2-(2-naphthalen-1-ylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939493
CID 58517988
CID 58517988
3-(2H-naphthalen-2-id-1-yl)-6-pyridin-2-yl-2H-pyridin-2-ide;yttrium
CID 58813552
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58517613
2-(2-fluorobenzene-6-id-1-yl)pyridine;iridium
CID 21044153
iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine
CID 154600620
2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
CID 58517648
bis(10H-imidazo[2,1-a]isoquinolin-10-ide);iridium;8-methyl-10H-imidazo[2,1-a]isoquinolin-4-ium-1,10-diide
CID 171043166

Frequently Asked Questions

What is the IUPAC name of 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine?
The IUPAC name of 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine (CID 58517580) is 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine.
What is the SMILES notation for 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine?
The canonical SMILES for 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine is [Ir].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1cccc2ccn3ccnc3c12.
What is the InChIKey of 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine?
The InChIKey is LMXSOXJWWPLHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.C11H7N2.Ir/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-8,10-11H;1-3,5-8H;/q2*-1;.
What are the key properties of 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine?
10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine has a molecular weight of 563.66 g/mol, XLogP of 5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine is sourced from PubChem (CID 58517580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).