6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine

C28H21IrN3-2 — CID 168821625

IUPAC6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine
SMILES[Ir].[c-]1cccc2c1-c1nccn1CC2.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C17H12N.C11H9N2.Ir/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-9,11-13H;1-3,6,8H,5,7H2;/q2*-1;
InChIKeyQMGSUDYMJQPDRN-UHFFFAOYSA-N
MW591.71 g/mol
LogP6.12
Rot. Bonds2

About 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine

6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine (PubChem CID 168821625) has the molecular formula C28H21IrN3-2 and a molecular weight of 591.71 g/mol. Its IUPAC name is 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine.

Molecular Properties

Compound Name6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine
PubChem CID168821625
Molecular FormulaC28H21IrN3-2
Molecular Weight591.71 g/mol
Exact Mass592.14
IUPAC Name6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine
SMILES[Ir].[c-]1cccc2c1-c1nccn1CC2.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C17H12N.C11H9N2.Ir/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-9,11-13H;1-3,6,8H,5,7H2;/q2*-1;
InChIKeyQMGSUDYMJQPDRN-UHFFFAOYSA-N
XLogP6.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine with MolForge

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Related Compounds

6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium
CID 168821825
6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-(5-methyl-4-phenyl-2-pyridinyl)benzene-5-ide-1-carbonitrile
CID 168822112
6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(3-isocyanobenzene-6-id-1-yl)-3-phenylpyridine
CID 168822002
6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2-isocyanobenzene-6-id-1-yl)-5-methyl-4-phenylpyridine
CID 168821469
6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;2-(2,3-diisocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium
CID 168821813
iridium;pentane-2,4-diol;bis(4-phenyl-2-phenylpyridine)
CID 153309687
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;2,3-diisocyano-4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-ide-1-carbonitrile;iridium
CID 168822045
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
2-(2,5-difluorobenzene-6-id-1-yl)pyridine;iridium;4-phenyl-2-phenylpyridine
CID 168823015
4-(3,5-dimethylphenyl)-2-phenylpyridine;iridium(3+);phenylbenzene
CID 162487319
6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-isocyano-3-(4-methyl-5-phenyl-2-pyridinyl)benzene-2-ide-1-carbonitrile
CID 168821892

Frequently Asked Questions

What is the IUPAC name of 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine?
The IUPAC name of 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine (CID 168821625) is 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine.
What is the SMILES notation for 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine?
The canonical SMILES for 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine is [Ir].[c-]1cccc2c1-c1nccn1CC2.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine?
The InChIKey is QMGSUDYMJQPDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N.C11H9N2.Ir/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-9,11-13H;1-3,6,8H,5,7H2;/q2*-1;.
What are the key properties of 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine?
6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine has a molecular weight of 591.71 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;iridium;4-phenyl-2-phenylpyridine is sourced from PubChem (CID 168821625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).