1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+))

C139H96F14N28Pt5 — CID 159541566

About 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+))

1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+)) (PubChem CID 159541566) has the molecular formula C139H96F14N28Pt5 and a molecular weight of 3399.85 g/mol. Its IUPAC name is 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+)).

Molecular Properties

• Compound Name: 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+))
• PubChem CID: 159541566
• Molecular Formula: C139H96F14N28Pt5
• Molecular Weight: 3399.85 g/mol
• Exact Mass: 3397.64
• IUPAC Name: 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+))
• SMILES: CC(C)(c1cccc(-c2[c-]cc(F)cc2)n1)c1cccc(-c2[c-]cc(F)cc2)n1.FC(F)(F)c1c[c-]n(-c2cccc(N(c3ccccc3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.FC(F)(F)c1cc[c-]c(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-c4[c-]ccc(C(F)(F)F)c4)n3)n2)c1.[C-]#[N+]c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C37H22F6N2.C32H29N9.C25H18F2N2.C24H13F6N7.C21H14N8.5Pt/c38-36(39,40)29-17-7-11-25(23-29)31-19-9-21-33(44-31)35(27-13-3-1-4-14-27,28-15-5-2-6-16-28)34-22-10-20-32(45-34)26-12-8-18-30(24-26)37(41,42)43;1-31(2,3)22-18-23(32(4,5)6)20-25(19-22)41(29-12-8-10-27(35-29)39-16-14-24(21-33)37-39)30-13-9-11-28(36-30)40-17-15-26(34-7)38-40;1-25(2,23-7-3-5-21(28-23)17-9-13-19(26)14-10-17)24-8-4-6-22(29-24)18-11-15-20(27)16-12-18;25-23(26,27)17-12-14-35(33-17)19-8-4-10-21(31-19)37(16-6-2-1-3-7-16)22-11-5-9-20(32-22)36-15-13-18(34-36)24(28,29)30;1-21(2,16-6-4-8-19(24-16)28-12-10-15(14-22)26-28)17-7-5-9-20(25-17)29-13-11-18(23-3)27-29;;;;;/h1-10,13-24H;8-15,18-20H,1-6H3;3-9,11,13-16H,1-2H3;1-13H;4-11H,1-2H3;;;;;/q5*-2;5*+2
• InChIKey: QMRMSPMFWUMXEQ-UHFFFAOYSA-N
• XLogP: 31.92
• TPSA: 298.60 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3399.85
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+))?

The IUPAC name of 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+)) (CID 159541566) is 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+)).

What is the SMILES notation for 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+))?

The canonical SMILES for 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+)) is CC(C)(c1cccc(-c2[c-]cc(F)cc2)n1)c1cccc(-c2[c-]cc(F)cc2)n1.FC(F)(F)c1c[c-]n(-c2cccc(N(c3ccccc3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.FC(F)(F)c1cc[c-]c(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-c4[c-]ccc(C(F)(F)F)c4)n3)n2)c1.[C-]#[N+]c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+))?

The InChIKey is QMRMSPMFWUMXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22F6N2.C32H29N9.C25H18F2N2.C24H13F6N7.C21H14N8.5Pt/c38-36(39,40)29-17-7-11-25(23-29)31-19-9-21-33(44-31)35(27-13-3-1-4-14-27,28-15-5-2-6-16-28)34-22-10-20-32(45-34)26-12-8-18-30(24-26)37(41,42)43;1-31(2,3)22-18-23(32(4,5)6)20-25(19-22)41(29-12-8-10-27(35-29)39-16-14-24(21-33)37-39)30-13-9-11-28(36-30)40-17-15-26(34-7)38-40;1-25(2,23-7-3-5-21(28-23)17-9-13-19(26)14-10-17)24-8-4-6-22(29-24)18-11-15-20(27)16-12-18;25-23(26,27)17-12-14-35(33-17)19-8-4-10-21(31-19)37(16-6-2-1-3-7-16)22-11-5-9-20(32-22)36-15-13-18(34-36)24(28,29)30;1-21(2,16-6-4-8-19(24-16)28-12-10-15(14-22)26-28)17-7-5-9-20(25-17)29-13-11-18(23-3)27-29;;;;;/h1-10,13-24H;8-15,18-20H,1-6H3;3-9,11,13-16H,1-2H3;1-13H;4-11H,1-2H3;;;;;/q5*-2;5*+2.

What are the key properties of 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+))?

1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+)) has a molecular weight of 3399.85 g/mol, XLogP of 31.92, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,5-ditert-butyl-N-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]anilino)-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-[diphenyl-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;pentakis(platinum(2+)) is sourced from PubChem (CID 159541566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).