4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum

C100H96F6N10O8Pt4-4 — CID 158078243

About 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum

4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum (PubChem CID 158078243) has the molecular formula C100H96F6N10O8Pt4-4 and a molecular weight of 2460.23 g/mol. Its IUPAC name is 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum.

Molecular Properties

• Compound Name: 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum
• PubChem CID: 158078243
• Molecular Formula: C100H96F6N10O8Pt4-4
• Molecular Weight: 2460.23 g/mol
• Exact Mass: 2458.59
• IUPAC Name: 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.[C-]#[N+]c1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C#N)cc2)cc1.[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1
• InChI: InChI=1S/C22H14F3N2.C22H11N4.C20H13N2.C16H10F3N2.4C5H12O2.4Pt/c1-14-6-8-15(9-7-14)20-21(27-19-5-3-2-4-18(19)26-20)16-10-12-17(13-11-16)22(23,24)25;1-24-18-12-10-17(11-13-18)22-21(16-8-6-15(14-23)7-9-16)25-19-4-2-3-5-20(19)26-22;1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;4*1-4(6)3-5(2)7;;;;/h2-10,12-13H,1H3;2-8,10-13H;1-11,13-14H;2-6,8-9H,1H3;4*4-7H,3H2,1-2H3;;;;/q4*-1
• InChIKey: JXNWHACHVZQTHB-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 293.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2460.23
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	8
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 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum?

The IUPAC name of 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum (CID 158078243) is 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum.

What is the SMILES notation for 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum?

The canonical SMILES for 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C(F)(F)F)cc2)cc1.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.[C-]#[N+]c1ccc(-c2nc3ccccc3nc2-c2[c-]cc(C#N)cc2)cc1.[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.

What is the InChIKey of 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum?

The InChIKey is JXNWHACHVZQTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N2.C22H11N4.C20H13N2.C16H10F3N2.4C5H12O2.4Pt/c1-14-6-8-15(9-7-14)20-21(27-19-5-3-2-4-18(19)26-20)16-10-12-17(13-11-16)22(23,24)25;1-24-18-12-10-17(11-13-18)22-21(16-8-6-15(14-23)7-9-16)25-19-4-2-3-5-20(19)26-22;1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;4*1-4(6)3-5(2)7;;;;/h2-10,12-13H,1H3;2-8,10-13H;1-11,13-14H;2-6,8-9H,1H3;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum?

4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum has a molecular weight of 2460.23 g/mol, XLogP of 21.01, 15 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;platinum is sourced from PubChem (CID 158078243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).