2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline

C82H88ClF4Ir4N9O16-4 — CID 159530916

About 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline (PubChem CID 159530916) has the molecular formula C82H88ClF4Ir4N9O16-4 and a molecular weight of 2335.97 g/mol. Its IUPAC name is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline.

Molecular Properties

• Compound Name: 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline
• PubChem CID: 159530916
• Molecular Formula: C82H88ClF4Ir4N9O16-4
• Molecular Weight: 2335.97 g/mol
• Exact Mass: 2337.45
• IUPAC Name: 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline
• SMILES: COC(O)CC(O)OC.COC(O)CC(O)OC.COC(O)CC(O)OC.COC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C#N)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C16H10F3N2.C16H10N3.C15H10ClN2.C15H10FN2.4C5H12O4.4Ir/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;1-11-16(13-8-6-12(10-17)7-9-13)19-15-5-3-2-4-14(15)18-11;2*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;4*1-8-4(6)3-5(7)9-2;;;;/h2-6,8-9H,1H3;2-8H,1H3;2*2-6,8-9H,1H3;4*4-7H,3H2,1-2H3;;;;/q4*-1
• InChIKey: ADIJBROHTPJFFW-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 362.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2335.97
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline?

The IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline (CID 159530916) is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline.

What is the SMILES notation for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline?

The canonical SMILES for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline is COC(O)CC(O)OC.COC(O)CC(O)OC.COC(O)CC(O)OC.COC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C#N)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline?

The InChIKey is ADIJBROHTPJFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.C16H10N3.C15H10ClN2.C15H10FN2.4C5H12O4.4Ir/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;1-11-16(13-8-6-12(10-17)7-9-13)19-15-5-3-2-4-14(15)18-11;2*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;4*1-8-4(6)3-5(7)9-2;;;;/h2-6,8-9H,1H3;2-8H,1H3;2*2-6,8-9H,1H3;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline?

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline has a molecular weight of 2335.97 g/mol, XLogP of 12.52, 20 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline is sourced from PubChem (CID 159530916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).