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

C28H20FIrN3-2 — CID 168821825

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

6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium (PubChem CID 168821825) has the molecular formula C28H20FIrN3-2 and a molecular weight of 609.70 g/mol. Its IUPAC name is 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium.

Molecular Properties

• Compound Name: 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium
• PubChem CID: 168821825
• Molecular Formula: C28H20FIrN3-2
• Molecular Weight: 609.70 g/mol
• Exact Mass: 610.13
• IUPAC Name: 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium
• SMILES: Fc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[c-]1cccc2c1-c1nccn1CC2
• InChI: InChI=1S/C17H11FN.C11H9N2.Ir/c18-16-11-17(14-9-5-2-6-10-14)19-12-15(16)13-7-3-1-4-8-13;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-9,11-12H;1-3,6,8H,5,7H2;/q2*-1
• InChIKey: ZVDAOURBEKCQTC-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.70
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium?

The IUPAC name of 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium (CID 168821825) is 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium.

What is the SMILES notation for 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium?

The canonical SMILES for 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium is Fc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[c-]1cccc2c1-c1nccn1CC2.

What is the InChIKey of 6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium?

The InChIKey is ZVDAOURBEKCQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN.C11H9N2.Ir/c18-16-11-17(14-9-5-2-6-10-14)19-12-15(16)13-7-3-1-4-8-13;1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-9,11-12H;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;4-fluoro-5-phenyl-2-phenylpyridine;iridium?

6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;4-fluoro-5-phenyl-2-phenylpyridine;iridium has a molecular weight of 609.70 g/mol, XLogP of 6.26, 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;4-fluoro-5-phenyl-2-phenylpyridine;iridium is sourced from PubChem (CID 168821825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).