2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline

C97H64F11Ir3N8O9-3 — CID 160859376

About 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline (PubChem CID 160859376) has the molecular formula C97H64F11Ir3N8O9-3 and a molecular weight of 2271.25 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline.

Molecular Properties

• Compound Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline
• PubChem CID: 160859376
• Molecular Formula: C97H64F11Ir3N8O9-3
• Molecular Weight: 2271.25 g/mol
• Exact Mass: 2272.35
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline
• SMILES: Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.O=C(O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O.O=C(O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O.O=C(O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O.[Ir].[Ir].[Ir].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C20H11F2N2.C20H13N2.C15H10N.3C14H10F3NO3.3Ir/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;3*15-14(16,17)10-4-1-3-9(7-10)8-18-6-2-5-11(12(18)19)13(20)21;;;/h1-7,9-12H;1-11,13-14H;1-7,9-11H;3*1-7H,8H2,(H,20,21);;;/q3*-1
• InChIKey: WTARNIZDVLXLND-UHFFFAOYSA-N
• XLogP: 21.34
• TPSA: 242.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.25
LogP ≤ 5	21.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline?

The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline (CID 160859376) is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline.

What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline?

The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline is Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.O=C(O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O.O=C(O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O.O=C(O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O.[Ir].[Ir].[Ir].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline?

The InChIKey is WTARNIZDVLXLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2N2.C20H13N2.C15H10N.3C14H10F3NO3.3Ir/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;3*15-14(16,17)10-4-1-3-9(7-10)8-18-6-2-5-11(12(18)19)13(20)21;;;/h1-7,9-12H;1-11,13-14H;1-7,9-11H;3*1-7H,8H2,(H,20,21);;;/q3*-1;;;;;;.

What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline?

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline has a molecular weight of 2271.25 g/mol, XLogP of 21.34, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tris(iridium);tris(2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid);1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline is sourced from PubChem (CID 160859376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).