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

C83H81ClF4Ir3N10O14Pt-4 — CID 158286629

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

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid (PubChem CID 158286629) has the molecular formula C83H81ClF4Ir3N10O14Pt-4 and a molecular weight of 2325.79 g/mol. Its IUPAC name is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid
• PubChem CID: 158286629
• Molecular Formula: C83H81ClF4Ir3N10O14Pt-4
• Molecular Weight: 2325.79 g/mol
• Exact Mass: 2326.41
• IUPAC Name: 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid
• SMILES: 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.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Pt]
• InChI: InChI=1S/C16H10F3N2.C16H10N3.C15H10ClN2.C15H10FN2.C6H5NO2.3C5H12O4.3Ir.Pt/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;8-6(9)5-3-1-2-4-7-5;3*1-8-4(6)3-5(7)9-2;;;;/h2-6,8-9H,1H3;2-8H,1H3;2*2-6,8-9H,1H3;1-4H,(H,8,9);3*4-7H,3H2,1-2H3;;;;/q4*-1
• InChIKey: QFNKXVMTWSWGLC-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 353.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2325.79
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

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;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid?

The IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid (CID 158286629) is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid.

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

The canonical SMILES for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid is 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.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Pt].

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

The InChIKey is QFNKXVMTWSWGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.C16H10N3.C15H10ClN2.C15H10FN2.C6H5NO2.3C5H12O4.3Ir.Pt/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;8-6(9)5-3-1-2-4-7-5;3*1-8-4(6)3-5(7)9-2;;;;/h2-6,8-9H,1H3;2-8H,1H3;2*2-6,8-9H,1H3;1-4H,(H,8,9);3*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.

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

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid has a molecular weight of 2325.79 g/mol, XLogP of 13.99, 17 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;tris(iridium);4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid is sourced from PubChem (CID 158286629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).