tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline

C141H97F21Ir4N28O-16 — CID 162286720

About tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline

tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline (PubChem CID 162286720) has the molecular formula C141H97F21Ir4N28O-16 and a molecular weight of 3367.35 g/mol. Its IUPAC name is tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline.

Molecular Properties

• Compound Name: tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline
• PubChem CID: 162286720
• Molecular Formula: C141H97F21Ir4N28O-16
• Molecular Weight: 3367.35 g/mol
• Exact Mass: 3368.67
• IUPAC Name: tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline
• SMILES: CCc1cnc(-c2[c-]cccc2)nc1-c1cc(C(F)(F)F)n[n-]1.COc1cc(F)c[c-]c1-c1cc(C)cc(N2C=CN(C)[CH-]2)n1.Cc1cc(-c2[c-]cc(F)cc2F)nc(N2[CH-]N(C)c3cccnc32)c1.Cc1cc(-c2[c-]cc(F)cc2F)nc(N2[CH-]N(C)c3cccnc32)c1.Cc1cc(-c2[c-]cc(F)cc2F)nc(N2[CH-]N(C)c3cccnc32)c1.Cc1ccc(-c2[c-]cc(F)cc2)nc1-c1cc(C(F)(F)F)n[n-]1.Cc1cccc2c(-c3[c-]cccc3)nc(-c3cc(C(F)(F)F)n[n-]3)cc12.Fc1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C20H12F3N3.3C19H14F2N4.C17H16FN3O.C16H9F4N3.C16H11F3N4.C15H7F4N3.4Ir/c1-12-6-5-9-14-15(12)10-16(17-11-18(26-25-17)20(21,22)23)24-19(14)13-7-3-2-4-8-13;3*1-12-8-16(14-6-5-13(20)10-15(14)21)23-18(9-12)25-11-24(2)17-4-3-7-22-19(17)25;1-12-8-15(14-5-4-13(18)10-16(14)22-3)19-17(9-12)21-7-6-20(2)11-21;1-9-2-7-12(10-3-5-11(17)6-4-10)21-15(9)13-8-14(23-22-13)16(18,19)20;1-2-10-9-20-15(11-6-4-3-5-7-11)21-14(10)12-8-13(23-22-12)16(17,18)19;16-10-6-4-9(5-7-10)11-2-1-3-12(20-11)13-8-14(22-21-13)15(17,18)19;;;;/h2-7,9-11H,1H3;3*3-5,7-11H,1-2H3;4,6-11H,1-3H3;2-3,5-8H,1H3;3-6,8-9H,2H2,1H3;1-4,6-8H;;;;/q8*-2
• InChIKey: ZKGFIQZWWMTDKU-UHFFFAOYSA-N
• XLogP: 32.40
• TPSA: 297.79 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3367.35
LogP ≤ 5	32.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline?

The IUPAC name of tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline (CID 162286720) is tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline.

What is the SMILES notation for tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline?

The canonical SMILES for tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline is CCc1cnc(-c2[c-]cccc2)nc1-c1cc(C(F)(F)F)n[n-]1.COc1cc(F)c[c-]c1-c1cc(C)cc(N2C=CN(C)[CH-]2)n1.Cc1cc(-c2[c-]cc(F)cc2F)nc(N2[CH-]N(C)c3cccnc32)c1.Cc1cc(-c2[c-]cc(F)cc2F)nc(N2[CH-]N(C)c3cccnc32)c1.Cc1cc(-c2[c-]cc(F)cc2F)nc(N2[CH-]N(C)c3cccnc32)c1.Cc1ccc(-c2[c-]cc(F)cc2)nc1-c1cc(C(F)(F)F)n[n-]1.Cc1cccc2c(-c3[c-]cccc3)nc(-c3cc(C(F)(F)F)n[n-]3)cc12.Fc1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline?

The InChIKey is ZKGFIQZWWMTDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3.3C19H14F2N4.C17H16FN3O.C16H9F4N3.C16H11F3N4.C15H7F4N3.4Ir/c1-12-6-5-9-14-15(12)10-16(17-11-18(26-25-17)20(21,22)23)24-19(14)13-7-3-2-4-8-13;3*1-12-8-16(14-6-5-13(20)10-15(14)21)23-18(9-12)25-11-24(2)17-4-3-7-22-19(17)25;1-12-8-15(14-5-4-13(18)10-16(14)22-3)19-17(9-12)21-7-6-20(2)11-21;1-9-2-7-12(10-3-5-11(17)6-4-10)21-15(9)13-8-14(23-22-13)16(18,19)20;1-2-10-9-20-15(11-6-4-3-5-7-11)21-14(10)12-8-13(23-22-12)16(17,18)19;16-10-6-4-9(5-7-10)11-2-1-3-12(20-11)13-8-14(22-21-13)15(17,18)19;;;;/h2-7,9-11H,1H3;3*3-5,7-11H,1-2H3;4,6-11H,1-3H3;2-3,5-8H,1H3;3-6,8-9H,2H2,1H3;1-4,6-8H;;;;/q8*-2;;;;.

What are the key properties of tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline?

tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline has a molecular weight of 3367.35 g/mol, XLogP of 32.40, 18 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-2-pyridinyl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide);5-ethyl-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;6-(4-fluorobenzene-6-id-1-yl)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;tetrakis(iridium);5-methyl-1-phenyl-3-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline is sourced from PubChem (CID 162286720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).