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

C98H96F8Ir4N8O8-4 — CID 161229616

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

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline (PubChem CID 161229616) has the molecular formula C98H96F8Ir4N8O8-4 and a molecular weight of 2434.75 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline.

Molecular Properties

• Compound Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline
• PubChem CID: 161229616
• Molecular Formula: C98H96F8Ir4N8O8-4
• Molecular Weight: 2434.75 g/mol
• Exact Mass: 2436.58
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Fc1c[c-]c(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1
• InChI: InChI=1S/C22H14F3N2.C20H11F2N2.C20H13N2.C16H10F3N2.4C5H12O2.4Ir/c1-14-6-8-15(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;1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;4*1-4(6)3-5(2)7;;;;/h2-10,12-13H,1H3;1-7,9-12H;1-11,13-14H;2-6,8-9H,1H3;4*4-7H,3H2,1-2H3;;;;/q4*-1
• InChIKey: WIIUQTPKSGKEIT-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 264.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2434.75
LogP ≤ 5	20.86
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);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline?

The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline (CID 161229616) is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline.

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

The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)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);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline?

The InChIKey is WIIUQTPKSGKEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N2.C20H11F2N2.C20H13N2.C16H10F3N2.4C5H12O2.4Ir/c1-14-6-8-15(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;1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;4*1-4(6)3-5(2)7;;;;/h2-10,12-13H,1H3;1-7,9-12H;1-11,13-14H;2-6,8-9H,1H3;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);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline?

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline has a molecular weight of 2434.75 g/mol, XLogP of 20.86, 15 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);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline is sourced from PubChem (CID 161229616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).