1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum

C62H66F4N7O8Pt3-3 — CID 158742847

About 1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum

1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum (PubChem CID 158742847) has the molecular formula C62H66F4N7O8Pt3-3 and a molecular weight of 1698.48 g/mol. Its IUPAC name is 1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum.

Molecular Properties

• Compound Name: 1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum
• PubChem CID: 158742847
• Molecular Formula: C62H66F4N7O8Pt3-3
• Molecular Weight: 1698.48 g/mol
• Exact Mass: 1697.39
• IUPAC Name: 1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.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.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C16H10F3N2.C16H10N3.C15H10FN2.C5H12O4.2C5H12O2.3Pt/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;1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;1-8-4(6)3-5(7)9-2;2*1-4(6)3-5(2)7;;;/h2-6,8-9H,1H3;2-8H,1H3;2-6,8-9H,1H3;4-7H,3H2,1-2H3;2*4-7H,3H2,1-2H3;;;/q3*-1
• InChIKey: PBJHVVZNRKNDEH-UHFFFAOYSA-N
• XLogP: 10.82
• TPSA: 240.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1698.48
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

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

The IUPAC name of 1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum (CID 158742847) is 1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum.

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

The canonical SMILES for 1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum is CC(O)CC(C)O.CC(O)CC(C)O.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.[Pt].[Pt].[Pt].

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

The InChIKey is PBJHVVZNRKNDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.C16H10N3.C15H10FN2.C5H12O4.2C5H12O2.3Pt/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;1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;1-8-4(6)3-5(7)9-2;2*1-4(6)3-5(2)7;;;/h2-6,8-9H,1H3;2-8H,1H3;2-6,8-9H,1H3;4-7H,3H2,1-2H3;2*4-7H,3H2,1-2H3;;;/q3*-1;;;;;;.

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

1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum has a molecular weight of 1698.48 g/mol, XLogP of 10.82, 11 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);platinum is sourced from PubChem (CID 158742847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).