2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine

C98H50F18N26OPt4S — CID 161164873

About 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine

2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine (PubChem CID 161164873) has the molecular formula C98H50F18N26OPt4S and a molecular weight of 2762.00 g/mol. Its IUPAC name is 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine.

Molecular Properties

• Compound Name: 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine
• PubChem CID: 161164873
• Molecular Formula: C98H50F18N26OPt4S
• Molecular Weight: 2762.00 g/mol
• Exact Mass: 2760.27
• IUPAC Name: 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine
• SMILES: FC(F)(F)c1c[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.FC(F)(F)c1c[c-]n(-c2cccc(C3(c4cccc(-n5[c-]cc(C(F)(F)F)n5)n4)c4ccccc4-c4ccccc43)n2)n1.FC(F)(F)c1c[c-]n(-c2cccc(Sc3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(Oc3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C31H16F6N6.C31H18F6N6.C18H8F6N6S.C18H8N8O.4Pt/c32-30(33,34)25-15-17-42(40-25)27-13-5-11-23(38-27)29(21-9-3-1-7-19(21)20-8-2-4-10-22(20)29)24-12-6-14-28(39-24)43-18-16-26(41-43)31(35,36)37;32-30(33,34)25-17-19-42(40-25)27-15-7-13-23(38-27)29(21-9-3-1-4-10-21,22-11-5-2-6-12-22)24-14-8-16-28(39-24)43-20-18-26(41-43)31(35,36)37;19-17(20,21)11-7-9-29(27-11)13-3-1-5-15(25-13)31-16-6-2-4-14(26-16)30-10-8-12(28-30)18(22,23)24;1-20-14-9-11-26(24-14)16-5-3-7-18(22-16)27-17-6-2-4-15(21-17)25-10-8-13(12-19)23-25;;;;/h1-16H;1-18H;1-8H;2-9H;;;;/q4*-2;4*+2
• InChIKey: HLRQPDJJVWUTKH-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 283.06 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2762.00
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine?

The IUPAC name of 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine (CID 161164873) is 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine.

What is the SMILES notation for 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine?

The canonical SMILES for 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine is FC(F)(F)c1c[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.FC(F)(F)c1c[c-]n(-c2cccc(C3(c4cccc(-n5[c-]cc(C(F)(F)F)n5)n4)c4ccccc4-c4ccccc43)n2)n1.FC(F)(F)c1c[c-]n(-c2cccc(Sc3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(Oc3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine?

The InChIKey is HLRQPDJJVWUTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16F6N6.C31H18F6N6.C18H8F6N6S.C18H8N8O.4Pt/c32-30(33,34)25-15-17-42(40-25)27-13-5-11-23(38-27)29(21-9-3-1-7-19(21)20-8-2-4-10-22(20)29)24-12-6-14-28(39-24)43-18-16-26(41-43)31(35,36)37;32-30(33,34)25-17-19-42(40-25)27-15-7-13-23(38-27)29(21-9-3-1-4-10-21,22-11-5-2-6-12-22)24-14-8-16-28(39-24)43-20-18-26(41-43)31(35,36)37;19-17(20,21)11-7-9-29(27-11)13-3-1-5-15(25-13)31-16-6-2-4-14(26-16)30-10-8-12(28-30)18(22,23)24;1-20-14-9-11-26(24-14)16-5-3-7-18(22-16)27-17-6-2-4-15(21-17)25-10-8-13(12-19)23-25;;;;/h1-16H;1-18H;1-8H;2-9H;;;;/q4*-2;4*+2.

What are the key properties of 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine?

2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine has a molecular weight of 2762.00 g/mol, XLogP of 21.01, 18 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]sulfanyl]pyridine is sourced from PubChem (CID 161164873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).