2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine)

C128H84F8Ir4N12-8 — CID 159699350

About 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine)

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine) (PubChem CID 159699350) has the molecular formula C128H84F8Ir4N12-8 and a molecular weight of 2711.02 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine)
• PubChem CID: 159699350
• Molecular Formula: C128H84F8Ir4N12-8
• Molecular Weight: 2711.02 g/mol
• Exact Mass: 2712.54
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine)
• SMILES: Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1
• InChI: InChI=1S/2C22H14F3N2.C20H11F2N2.C20H13N2.4C11H8N.4Ir/c2*1-14-6-8-15(9-7-14)20-21(27-19-5-3-2-4-18(19)26-20)16-10-12-17(13-11-16)22(23,24)25;21-15-9-5-13(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;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2*2-10,12-13H,1H3;1-7,9-12H;1-11,13-14H;4*1-6,8-9H;;;;/q8*-1
• InChIKey: SSEPFOVUZJQCFY-UHFFFAOYSA-N
• XLogP: 32.17
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2711.02
LogP ≤ 5	32.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine)?

The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine) (CID 159699350) is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine).

What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine)?

The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine) is Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.

What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine)?

The InChIKey is SSEPFOVUZJQCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H14F3N2.C20H11F2N2.C20H13N2.4C11H8N.4Ir/c2*1-14-6-8-15(9-7-14)20-21(27-19-5-3-2-4-18(19)26-20)16-10-12-17(13-11-16)22(23,24)25;21-15-9-5-13(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;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2*2-10,12-13H,1H3;1-7,9-12H;1-11,13-14H;4*1-6,8-9H;;;;/q8*-1;;;;.

What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine)?

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine) has a molecular weight of 2711.02 g/mol, XLogP of 32.17, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);bis(2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenyl-3-phenylquinoxaline;tetrakis(2-phenylpyridine) is sourced from PubChem (CID 159699350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).