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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum

C88H84ClF7IrN9O12Pt3-5 — CID 161031291

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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum

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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum (PubChem CID 161031291) has the molecular formula C88H84ClF7IrN9O12Pt3-5 and a molecular weight of 2405.58 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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum.

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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum
• PubChem CID: 161031291
• Molecular Formula: C88H84ClF7IrN9O12Pt3-5
• Molecular Weight: 2405.58 g/mol
• Exact Mass: 2404.44
• 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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum
• SMILES: COC(O)CC(O)OC.COC(O)CC(O)OC.COC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.[Ir].[Pt].[Pt].[Pt].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C16H10F3N2.C15H10ClN2.C15H10FN2.C11H8N.3C5H12O4.Ir.3Pt/c2*1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;2*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-8-4(6)3-5(7)9-2;;;;/h2*2-6,8-9H,1H3;2*2-6,8-9H,1H3;1-6,8-9H;3*4-7H,3H2,1-2H3;;;;/q5*-1
• InChIKey: FQBQESJARWUUGO-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 292.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2405.58
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum?

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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum (CID 161031291) 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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum.

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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum?

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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum is COC(O)CC(O)OC.COC(O)CC(O)OC.COC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.[Ir].[Pt].[Pt].[Pt].[c-]1ccccc1-c1ccccn1.

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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum?

The InChIKey is FQBQESJARWUUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H10F3N2.C15H10ClN2.C15H10FN2.C11H8N.3C5H12O4.Ir.3Pt/c2*1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;2*1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-8-4(6)3-5(7)9-2;;;;/h2*2-6,8-9H,1H3;2*2-6,8-9H,1H3;1-6,8-9H;3*4-7H,3H2,1-2H3;;;;/q5*-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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum?

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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum has a molecular weight of 2405.58 g/mol, XLogP of 16.91, 17 rotatable bonds, 6 hydrogen bond donors, and 21 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;iridium;bis(2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline);2-phenylpyridine;platinum is sourced from PubChem (CID 161031291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).