2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C81H61F22Ir4N12O10-5 — CID 159717301

About 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 159717301) has the molecular formula C81H61F22Ir4N12O10-5 and a molecular weight of 2549.28 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• PubChem CID: 159717301
• Molecular Formula: C81H61F22Ir4N12O10-5
• Molecular Weight: 2549.28 g/mol
• Exact Mass: 2551.28
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1c(F)c(F)[c-]c(-c2nnc(-c3cc(F)c(F)c(C)c3F)o2)c1F.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1[c-]c(-c2nnc(-c3cc(F)c(F)cc3F)o2)c(F)cc1F.Fc1c(F)c(F)c(-c2nnc(-c3[c-]cccc3)o2)c(F)c1F.Fc1c[c-]c(-c2nnc(-c3ccc(F)cc3)o2)cc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C16H7F6N2O.C14H3F6N2O.C14H4F5N2O.C14H7F2N2O.C8H4F3N4.3C5H12O2.4Ir/c1-5-11(19)7(3-9(17)13(5)21)15-23-24-16(25-15)8-4-10(18)14(22)6(2)12(8)20;15-7-3-11(19)9(17)1-5(7)13-21-22-14(23-13)6-2-10(18)12(20)4-8(6)16;15-8-7(9(16)11(18)12(19)10(8)17)14-21-20-13(22-14)6-4-2-1-3-5-6;15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;3*1-4(6)3-5(2)7;;;;/h3H,1-2H3;1,3-4H;1-4H;1-3,5-8H;1-4H;3*4-7H,3H2,1-2H3;;;;/q5*-1
• InChIKey: QXRWKRXDPKUFDB-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 329.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2549.28
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 159717301) is 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1c(F)c(F)[c-]c(-c2nnc(-c3cc(F)c(F)c(C)c3F)o2)c1F.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1[c-]c(-c2nnc(-c3cc(F)c(F)cc3F)o2)c(F)cc1F.Fc1c(F)c(F)c(-c2nnc(-c3[c-]cccc3)o2)c(F)c1F.Fc1c[c-]c(-c2nnc(-c3ccc(F)cc3)o2)cc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The InChIKey is QXRWKRXDPKUFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F6N2O.C14H3F6N2O.C14H4F5N2O.C14H7F2N2O.C8H4F3N4.3C5H12O2.4Ir/c1-5-11(19)7(3-9(17)13(5)21)15-23-24-16(25-15)8-4-10(18)14(22)6(2)12(8)20;15-7-3-11(19)9(17)1-5(7)13-21-22-14(23-13)6-2-10(18)12(20)4-8(6)16;15-8-7(9(16)11(18)12(19)10(8)17)14-21-20-13(22-14)6-4-2-1-3-5-6;15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;3*1-4(6)3-5(2)7;;;;/h3H,1-2H3;1,3-4H;1-4H;1-3,5-8H;1-4H;3*4-7H,3H2,1-2H3;;;;/q5*-1;;;;;;;.

What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 2549.28 g/mol, XLogP of 17.99, 15 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 159717301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).