1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol

C116H85F6Ir6N24O3-9 — CID 157058292

About 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol

1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol (PubChem CID 157058292) has the molecular formula C116H85F6Ir6N24O3-9 and a molecular weight of 3130.41 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol
• PubChem CID: 157058292
• Molecular Formula: C116H85F6Ir6N24O3-9
• Molecular Weight: 3130.41 g/mol
• Exact Mass: 3133.50
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol
• SMILES: OC(c1ccccn1)(C(F)(F)F)C(F)(F)F.Oc1cccc2cccnc12.Oc1ccnc2cccnc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1
• InChI: InChI=1S/C17H11N2.C12H8N3.6C9H7N2.C9H7NO.C8H5F6NO.C8H6N3.C8H6N2O.6Ir/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)19(15)17-11-5-6-12-18-17;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;6*1-2-5-9(6-3-1)11-8-4-7-10-11;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7(10,11)6(16,8(12,13)14)5-3-1-2-4-15-5;1-2-4-9-7(3-1)8-10-5-6-11-8;11-7-3-5-9-6-2-1-4-10-8(6)7;;;;;;/h1-9,11-12H;1-8H;6*1-5,7-8H;1-6,11H;1-4,16H;1-6H;1-5H,(H,9,11);;;;;;/q8*-1;;;-1
• InChIKey: HJWAELWPZMASCI-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 316.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3130.41
LogP ≤ 5	23.02
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 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol?

The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol (CID 157058292) is 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol?

The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol is OC(c1ccccn1)(C(F)(F)F)C(F)(F)F.Oc1cccc2cccnc12.Oc1ccnc2cccnc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1.

What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol?

The InChIKey is HJWAELWPZMASCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N2.C12H8N3.6C9H7N2.C9H7NO.C8H5F6NO.C8H6N3.C8H6N2O.6Ir/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)19(15)17-11-5-6-12-18-17;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;6*1-2-5-9(6-3-1)11-8-4-7-10-11;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7(10,11)6(16,8(12,13)14)5-3-1-2-4-15-5;1-2-4-9-7(3-1)8-10-5-6-11-8;11-7-3-5-9-6-2-1-4-10-8(6)7;;;;;;/h1-9,11-12H;1-8H;6*1-5,7-8H;1-6,11H;1-4,16H;1-6H;1-5H,(H,9,11);;;;;;/q8*-1;;;-1;;;;;;;.

What are the key properties of 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol?

1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol has a molecular weight of 3130.41 g/mol, XLogP of 23.02, 10 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol is sourced from PubChem (CID 157058292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).