2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine

C147H145F6IrN22O4Pt4 — CID 158875600

About 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine

2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 158875600) has the molecular formula C147H145F6IrN22O4Pt4 and a molecular weight of 3370.44 g/mol. Its IUPAC name is 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

• Compound Name: 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine
• PubChem CID: 158875600
• Molecular Formula: C147H145F6IrN22O4Pt4
• Molecular Weight: 3370.44 g/mol
• Exact Mass: 3368.99
• IUPAC Name: 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine
• SMILES: CC(C)(C)C(O)=Cc1cccc(-c2cccc(C=C(O)C(C)(C)C)n2)n1.CC(C)(C)c1n[n-]c(-c2cccc(-c3[n-]nc(C(C)(C)C)c3-c3ccccc3)n2)c1-c1ccccc1.CC(C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.CCc1c(-c2ccccn2)[n-]c(-c2ccccn2)c1CC.CCc1c(C)[n-]c(-c2cccc(C(C)(C)c3cccc(-c4[n-]c(C)c(CC)c4C)n3)n2)c1C.OC(=Cc1cccc(-c2cccc(C=C(O)c3ccccc3)n2)n1)c1ccccc1.[Ir+3].[Pt+2].[Pt+2].[Pt].[Pt]
• InChI: InChI=1S/C31H31N5.C29H34N4.C26H20N2O2.C22H28N2O2.C21H14F6N6.C18H18N3.Ir.4Pt/c1-30(2,3)28-24(20-14-9-7-10-15-20)26(33-35-28)22-18-13-19-23(32-22)27-25(21-16-11-8-12-17-21)29(36-34-27)31(4,5)6;1-9-21-17(3)27(30-19(21)5)23-13-11-15-25(32-23)29(7,8)26-16-12-14-24(33-26)28-18(4)22(10-2)20(6)31-28;29-25(19-9-3-1-4-10-19)17-21-13-7-15-23(27-21)24-16-8-14-22(28-24)18-26(30)20-11-5-2-6-12-20;1-21(2,3)19(25)13-15-9-7-11-17(23-15)18-12-8-10-16(24-18)14-20(26)22(4,5)6;1-19(2,15-7-3-5-11(28-15)13-9-17(32-30-13)20(22,23)24)16-8-4-6-12(29-16)14-10-18(33-31-14)21(25,26)27;1-3-13-14(4-2)18(16-10-6-8-12-20-16)21-17(13)15-9-5-7-11-19-15;;;;;/h7-19H,1-6H3;11-16H,9-10H2,1-8H3;1-18,29-30H;7-14,25-26H,1-6H3;3-10H,1-2H3;5-12H,3-4H2,1-2H3;;;;;/q2*-2;;;-2;-1;+3;;;2*+2
• InChIKey: JXYODPYBYAWIHT-UHFFFAOYSA-N
• XLogP: 34.51
• TPSA: 372.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3370.44
LogP ≤ 5	34.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine?

The IUPAC name of 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 158875600) is 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine.

What is the SMILES notation for 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine?

The canonical SMILES for 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine is CC(C)(C)C(O)=Cc1cccc(-c2cccc(C=C(O)C(C)(C)C)n2)n1.CC(C)(C)c1n[n-]c(-c2cccc(-c3[n-]nc(C(C)(C)C)c3-c3ccccc3)n2)c1-c1ccccc1.CC(C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.CCc1c(-c2ccccn2)[n-]c(-c2ccccn2)c1CC.CCc1c(C)[n-]c(-c2cccc(C(C)(C)c3cccc(-c4[n-]c(C)c(CC)c4C)n3)n2)c1C.OC(=Cc1cccc(-c2cccc(C=C(O)c3ccccc3)n2)n1)c1ccccc1.[Ir+3].[Pt+2].[Pt+2].[Pt].[Pt].

What is the InChIKey of 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine?

The InChIKey is JXYODPYBYAWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5.C29H34N4.C26H20N2O2.C22H28N2O2.C21H14F6N6.C18H18N3.Ir.4Pt/c1-30(2,3)28-24(20-14-9-7-10-15-20)26(33-35-28)22-18-13-19-23(32-22)27-25(21-16-11-8-12-17-21)29(36-34-27)31(4,5)6;1-9-21-17(3)27(30-19(21)5)23-13-11-15-25(32-23)29(7,8)26-16-12-14-24(33-26)28-18(4)22(10-2)20(6)31-28;29-25(19-9-3-1-4-10-19)17-21-13-7-15-23(27-21)24-16-8-14-22(28-24)18-26(30)20-11-5-2-6-12-20;1-21(2,3)19(25)13-15-9-7-11-17(23-15)18-12-8-10-16(24-18)14-20(26)22(4,5)6;1-19(2,15-7-3-5-11(28-15)13-9-17(32-30-13)20(22,23)24)16-8-4-6-12(29-16)14-10-18(33-31-14)21(25,26)27;1-3-13-14(4-2)18(16-10-6-8-12-20-16)21-17(13)15-9-5-7-11-19-15;;;;;/h7-19H,1-6H3;11-16H,9-10H2,1-8H3;1-18,29-30H;7-14,25-26H,1-6H3;3-10H,1-2H3;5-12H,3-4H2,1-2H3;;;;;/q2*-2;;;-2;-1;+3;;;2*+2.

What are the key properties of 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine?

2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 3370.44 g/mol, XLogP of 34.51, 26 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(3-tert-butyl-4-phenylpyrazol-1-id-5-yl)pyridine;2-(3,4-diethyl-5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[6-(2-hydroxy-3,3-dimethylbut-1-enyl)-2-pyridinyl]-2-pyridinyl]-3,3-dimethylbut-1-en-2-ol;2-[6-[6-(2-hydroxy-2-phenylethenyl)-2-pyridinyl]-2-pyridinyl]-1-phenylethenol;iridium(3+);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 158875600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).