bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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

C63H59F4Ir2N8O10Pt-3 — CID 159255950

About bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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

bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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 159255950) has the molecular formula C63H59F4Ir2N8O10Pt-3 and a molecular weight of 1743.71 g/mol. Its IUPAC name is bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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: bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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: 159255950
• Molecular Formula: C63H59F4Ir2N8O10Pt-3
• Molecular Weight: 1743.71 g/mol
• Exact Mass: 1744.32
• IUPAC Name: bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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.Cc1nc2ccccc2nc1-c1[c-]cc(C#N)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.O=C(O)c1ccccn1.[Ir].[Ir].[Pt]
• InChI: InChI=1S/C16H10F3N2.C16H10N3.C15H10FN2.C6H5NO2.2C5H12O4.2Ir.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;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;2*1-8-4(6)3-5(7)9-2;;;/h2-6,8-9H,1H3;2-8H,1H3;2-6,8-9H,1H3;1-4H,(H,8,9);2*4-7H,3H2,1-2H3;;;/q3*-1
• InChIKey: GEMGDKZUKVIWJQ-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 269.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1743.71
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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 bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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 bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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 159255950) is bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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 bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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 bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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.Cc1nc2ccccc2nc1-c1[c-]cc(C#N)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(F)cc1.O=C(O)c1ccccn1.[Ir].[Ir].[Pt].

What is the InChIKey of bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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 GEMGDKZUKVIWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.C16H10N3.C15H10FN2.C6H5NO2.2C5H12O4.2Ir.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;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;2*1-8-4(6)3-5(7)9-2;;;/h2-6,8-9H,1H3;2-8H,1H3;2-6,8-9H,1H3;1-4H,(H,8,9);2*4-7H,3H2,1-2H3;;;/q3*-1;;;;;;.

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

bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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 1743.71 g/mol, XLogP of 10.63, 12 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,3-dimethoxypropane-1,3-diol);2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;bis(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 159255950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).