2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum

C126H94ClF5Ir4N15O4Pt-9 — CID 159537318

About 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum (PubChem CID 159537318) has the molecular formula C126H94ClF5Ir4N15O4Pt-9 and a molecular weight of 2976.63 g/mol. Its IUPAC name is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum.

Molecular Properties

• Compound Name: 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum
• PubChem CID: 159537318
• Molecular Formula: C126H94ClF5Ir4N15O4Pt-9
• Molecular Weight: 2976.63 g/mol
• Exact Mass: 2977.54
• IUPAC Name: 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum
• SMILES: 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.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C16H10F3N2.C16H10N3.C15H10ClN2.2C15H10FN2.4C11H8N.C5H12O4.4Ir.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;3*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-4(6)3-5(7)9-2;;;;;/h2-6,8-9H,1H3;2-8H,1H3;3*2-6,8-9H,1H3;4*1-6,8-9H;4-7H,3H2,1-2H3;;;;;/q9*-1
• InChIKey: QKZSKVSYKHSTAY-UHFFFAOYSA-N
• XLogP: 28.34
• TPSA: 263.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2976.63
LogP ≤ 5	28.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum?

The IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum (CID 159537318) is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum.

What is the SMILES notation for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum?

The canonical SMILES for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum is 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.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum?

The InChIKey is QKZSKVSYKHSTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.C16H10N3.C15H10ClN2.2C15H10FN2.4C11H8N.C5H12O4.4Ir.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;3*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-4(6)3-5(7)9-2;;;;;/h2-6,8-9H,1H3;2-8H,1H3;3*2-6,8-9H,1H3;4*1-6,8-9H;4-7H,3H2,1-2H3;;;;;/q9*-1;;;;;;.

What are the key properties of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum?

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum has a molecular weight of 2976.63 g/mol, XLogP of 28.34, 13 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;bis(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;tetrakis(2-phenylpyridine);platinum is sourced from PubChem (CID 159537318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).