pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C111H76F22Ir6N24O5-10 — CID 159831719

About pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159831719) has the molecular formula C111H76F22Ir6N24O5-10 and a molecular weight of 3397.25 g/mol. Its IUPAC name is pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 159831719
• Molecular Formula: C111H76F22Ir6N24O5-10
• Molecular Weight: 3397.25 g/mol
• Exact Mass: 3400.39
• IUPAC Name: pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CC(=O)C=C(C)O.CON=Cc1cc(C)n[n-]1.Cc1cc(C=[N+](C)C)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2nc3ccccc3o2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=c1cc(-c2cnccn2)[n-]c(C(F)(F)F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C11H5F3N3O.5C11H6F2N.C10H6F3N3O.C9H5F3N3.C8H4F3N4.C7H11N3.C6H8N3O.C5H8O2.6Ir/c12-11(13,14)9-5-7(16-17-9)10-15-6-3-1-2-4-8(6)18-10;5*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;11-10(12,13)9-4-6(17)3-7(16-9)8-5-14-1-2-15-8;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;1-6-4-7(9-8-6)5-10(2)3;1-5-3-6(9-8-5)4-7-10-2;1-4(6)3-5(2)7;;;;;;/h1-5H;5*1-4,6-7H;1-5H,(H,16,17);1-5H;1-4H;4-5H,1-3H3;3-4H,1-2H3;3,6H,1-2H3;;;;;;/q6*-1;;2*-1;;-1;;;;;;;/p-1
• InChIKey: JXIAQQHPXVNNEA-UHFFFAOYSA-M
• XLogP: 23.50
• TPSA: 382.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3397.25
LogP ≤ 5	23.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159831719) is pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(=O)C=C(C)O.CON=Cc1cc(C)n[n-]1.Cc1cc(C=[N+](C)C)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2nc3ccccc3o2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=c1cc(-c2cnccn2)[n-]c(C(F)(F)F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is JXIAQQHPXVNNEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H5F3N3O.5C11H6F2N.C10H6F3N3O.C9H5F3N3.C8H4F3N4.C7H11N3.C6H8N3O.C5H8O2.6Ir/c12-11(13,14)9-5-7(16-17-9)10-15-6-3-1-2-4-8(6)18-10;5*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;11-10(12,13)9-4-6(17)3-7(16-9)8-5-14-1-2-15-8;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;1-6-4-7(9-8-6)5-10(2)3;1-5-3-6(9-8-5)4-7-10-2;1-4(6)3-5(2)7;;;;;;/h1-5H;5*1-4,6-7H;1-5H,(H,16,17);1-5H;1-4H;4-5H,1-3H3;3-4H,1-2H3;3,6H,1-2H3;;;;;;/q6*-1;;2*-1;;-1;;;;;;;/p-1.

What are the key properties of pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3397.25 g/mol, XLogP of 23.50, 13 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);dimethyl-[(5-methylpyrazol-2-id-3-yl)methylidene]azanium;4-hydroxypent-3-en-2-one;hexakis(iridium);N-methoxy-1-(5-methylpyrazol-2-id-3-yl)methanimine;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159831719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).