3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine)

C78H63F6Ir5N10O2-5 — CID 158215540

About 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine)

3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine) (PubChem CID 158215540) has the molecular formula C78H63F6Ir5N10O2-5 and a molecular weight of 2247.50 g/mol. Its IUPAC name is 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine).

Molecular Properties

• Compound Name: 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine)
• PubChem CID: 158215540
• Molecular Formula: C78H63F6Ir5N10O2-5
• Molecular Weight: 2247.50 g/mol
• Exact Mass: 2250.32
• IUPAC Name: 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine)
• SMILES: CC(C)(C)c1c[c-]c(-c2cc3ccccn3n2)cc1.CC(C)(C)c1c[c-]c(-c2ncc3ccccn23)cc1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccn2n1.[c-]1ccccc1-c1cc2ccccn2n1.[c-]1ccccc1-c1cc2ccccn2n1
• InChI: InChI=1S/2C17H17N2.3C13H9N2.C5H2F6O2.5Ir/c1-17(2,3)14-9-7-13(8-10-14)16-18-12-15-6-4-5-11-19(15)16;1-17(2,3)14-9-7-13(8-10-14)16-12-15-6-4-5-11-19(15)18-16;3*1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;/h2*4-7,9-12H,1-3H3;3*1-6,8-10H;1,12H;;;;;/q5*-1
• InChIKey: JQQQHXKOJICROK-UHFFFAOYSA-N
• XLogP: 18.71
• TPSA: 123.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2247.50
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine)?

The IUPAC name of 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine) (CID 158215540) is 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine).

What is the SMILES notation for 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine)?

The canonical SMILES for 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine) is CC(C)(C)c1c[c-]c(-c2cc3ccccn3n2)cc1.CC(C)(C)c1c[c-]c(-c2ncc3ccccn23)cc1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccn2n1.[c-]1ccccc1-c1cc2ccccn2n1.[c-]1ccccc1-c1cc2ccccn2n1.

What is the InChIKey of 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine)?

The InChIKey is JQQQHXKOJICROK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17N2.3C13H9N2.C5H2F6O2.5Ir/c1-17(2,3)14-9-7-13(8-10-14)16-18-12-15-6-4-5-11-19(15)16;1-17(2,3)14-9-7-13(8-10-14)16-12-15-6-4-5-11-19(15)18-16;3*1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;/h2*4-7,9-12H,1-3H3;3*1-6,8-10H;1,12H;;;;;/q5*-1;;;;;;.

What are the key properties of 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine)?

3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine) has a molecular weight of 2247.50 g/mol, XLogP of 18.71, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine) is sourced from PubChem (CID 158215540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).