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

C86H60ClF4IrN13O8Pt3-4 — CID 159691342

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

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tetrakis(pyridine-2-carboxylic acid) (PubChem CID 159691342) has the molecular formula C86H60ClF4IrN13O8Pt3-4 and a molecular weight of 2292.40 g/mol. Its IUPAC name is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tetrakis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tetrakis(pyridine-2-carboxylic acid)
• PubChem CID: 159691342
• Molecular Formula: C86H60ClF4IrN13O8Pt3-4
• Molecular Weight: 2292.40 g/mol
• Exact Mass: 2291.29
• IUPAC Name: 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tetrakis(pyridine-2-carboxylic acid)
• SMILES: 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.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C16H10F3N2.C16H10N3.C15H10ClN2.C15H10FN2.4C6H5NO2.Ir.3Pt/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*8-6(9)5-3-1-2-4-7-5;;;;/h2-6,8-9H,1H3;2-8H,1H3;2*2-6,8-9H,1H3;4*1-4H,(H,8,9);;;;/q4*-1
• InChIKey: CIHMELXYVSKCOI-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 327.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2292.40
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tetrakis(pyridine-2-carboxylic acid) (CID 159691342) is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tetrakis(pyridine-2-carboxylic acid).

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

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

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

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

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

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tetrakis(pyridine-2-carboxylic acid) has a molecular weight of 2292.40 g/mol, XLogP of 18.41, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;tetrakis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 159691342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).