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

C104H94F14Ir4N8O8-4 — CID 158396252

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

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline) (PubChem CID 158396252) has the molecular formula C104H94F14Ir4N8O8-4 and a molecular weight of 2618.78 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline).

Molecular Properties

• Compound Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline)
• PubChem CID: 158396252
• Molecular Formula: C104H94F14Ir4N8O8-4
• Molecular Weight: 2618.78 g/mol
• Exact Mass: 2620.55
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline)
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.FC(F)(F)c1c[c-]c(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1
• InChI: InChI=1S/2C22H11F6N2.C20H11F2N2.C20H13N2.4C5H12O2.4Ir/c2*23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28;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*1-4(6)3-5(2)7;;;;/h2*1-7,9-12H;1-7,9-12H;1-11,13-14H;4*4-7H,3H2,1-2H3;;;;/q4*-1
• InChIKey: CQIOPBJMQONZOZ-UHFFFAOYSA-N
• XLogP: 23.95
• TPSA: 264.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2618.78
LogP ≤ 5	23.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

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);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline)?

The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline) (CID 158396252) is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline).

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

The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline) is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.FC(F)(F)c1c[c-]c(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.

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

The InChIKey is CQIOPBJMQONZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H11F6N2.C20H11F2N2.C20H13N2.4C5H12O2.4Ir/c2*23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28;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*1-4(6)3-5(2)7;;;;/h2*1-7,9-12H;1-7,9-12H;1-11,13-14H;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.

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

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline) has a molecular weight of 2618.78 g/mol, XLogP of 23.95, 16 rotatable bonds, 8 hydrogen bond donors, and 16 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);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline) is sourced from PubChem (CID 158396252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).