4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine

C102H83F16Ir3N24O7 — CID 159428675

About 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine

4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine (PubChem CID 159428675) has the molecular formula C102H83F16Ir3N24O7 and a molecular weight of 2637.57 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 159428675
• Molecular Formula: C102H83F16Ir3N24O7
• Molecular Weight: 2637.57 g/mol
• Exact Mass: 2638.55
• IUPAC Name: 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine
• SMILES: CC(C)(C)c1cc(-c2cc(C(F)(F)F)[nH]n2)nc(Oc2[c-]cc(F)cc2)n1.COc1cc(F)c[c-]c1Oc1nc(-c2cc(C(F)(F)F)[nH]n2)cc(C(C)(C)C)n1.Cc1cc(-c2cc(C(C)(C)C)nc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cc(C(C)(C)C)nc(Oc3[c-]cc(F)cc3C)n2)[n-]n1.FC(F)(F)c1n[n-]c(-c2cccc(Oc3[c-]cccc3)n2)n1.FC(F)(F)c1nnc(-c2cccc(Oc3[c-]cccc3)n2)[nH]1.[Ir+3].[Ir+3].[Ir+3]
• InChI: InChI=1S/C19H17F4N4O2.C19H19FN4O.C18H15F4N4O.C18H17FN4O.C14H8F3N4O.C14H7F3N4O.3Ir/c1-18(2,3)15-8-11(12-9-16(27-26-12)19(21,22)23)24-17(25-15)29-13-6-5-10(20)7-14(13)28-4;1-11-8-13(20)6-7-16(11)25-18-21-14(15-9-12(2)23-24-15)10-17(22-18)19(3,4)5;1-17(2,3)14-8-12(13-9-15(26-25-13)18(20,21)22)23-16(24-14)27-11-6-4-10(19)5-7-11;1-11-9-15(23-22-11)14-10-16(18(2,3)4)21-17(20-14)24-13-7-5-12(19)6-8-13;2*15-14(16,17)13-19-12(20-21-13)10-7-4-8-11(18-10)22-9-5-2-1-3-6-9;;;/h5,7-9H,1-4H3,(H,26,27);6,8-10H,1-5H3;4-6,8-9H,1-3H3,(H,25,26);5-7,9-10H,1-4H3;1-5,7-8H,(H,19,20,21);1-5,7-8H;;;/q-1;-2;-1;-2;-1;-2;3*+3
• InChIKey: UUTXQSPTKATNSB-UHFFFAOYSA-N
• XLogP: 24.39
• TPSA: 386.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2637.57
LogP ≤ 5	24.39
H-Bond Donors ≤ 5	3
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 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine?

The IUPAC name of 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine (CID 159428675) is 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine.

What is the SMILES notation for 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine?

The canonical SMILES for 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine is CC(C)(C)c1cc(-c2cc(C(F)(F)F)[nH]n2)nc(Oc2[c-]cc(F)cc2)n1.COc1cc(F)c[c-]c1Oc1nc(-c2cc(C(F)(F)F)[nH]n2)cc(C(C)(C)C)n1.Cc1cc(-c2cc(C(C)(C)C)nc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cc(C(C)(C)C)nc(Oc3[c-]cc(F)cc3C)n2)[n-]n1.FC(F)(F)c1n[n-]c(-c2cccc(Oc3[c-]cccc3)n2)n1.FC(F)(F)c1nnc(-c2cccc(Oc3[c-]cccc3)n2)[nH]1.[Ir+3].[Ir+3].[Ir+3].

What is the InChIKey of 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine?

The InChIKey is UUTXQSPTKATNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N4O2.C19H19FN4O.C18H15F4N4O.C18H17FN4O.C14H8F3N4O.C14H7F3N4O.3Ir/c1-18(2,3)15-8-11(12-9-16(27-26-12)19(21,22)23)24-17(25-15)29-13-6-5-10(20)7-14(13)28-4;1-11-8-13(20)6-7-16(11)25-18-21-14(15-9-12(2)23-24-15)10-17(22-18)19(3,4)5;1-17(2,3)14-8-12(13-9-15(26-25-13)18(20,21)22)23-16(24-14)27-11-6-4-10(19)5-7-11;1-11-9-15(23-22-11)14-10-16(18(2,3)4)21-17(20-14)24-13-7-5-12(19)6-8-13;2*15-14(16,17)13-19-12(20-21-13)10-7-4-8-11(18-10)22-9-5-2-1-3-6-9;;;/h5,7-9H,1-4H3,(H,26,27);6,8-10H,1-5H3;4-6,8-9H,1-3H3,(H,25,26);5-7,9-10H,1-4H3;1-5,7-8H,(H,19,20,21);1-5,7-8H;;;/q-1;-2;-1;-2;-1;-2;3*+3.

What are the key properties of 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine?

4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 2637.57 g/mol, XLogP of 24.39, 19 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine;4-tert-butyl-2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;tris(iridium(3+));2-(phenoxy)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 159428675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).