2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine

C147H135F6Ir7N33O-2 — CID 162287329

About 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine

2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine (PubChem CID 162287329) has the molecular formula C147H135F6Ir7N33O-2 and a molecular weight of 3839.43 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine.

Molecular Properties

• Compound Name: 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine
• PubChem CID: 162287329
• Molecular Formula: C147H135F6Ir7N33O-2
• Molecular Weight: 3839.43 g/mol
• Exact Mass: 3842.88
• IUPAC Name: 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine
• SMILES: CC(C)(C)c1cc(-c2ccccn2)[n-]n1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ncccc21.Cc1ccnc(-c2cc(C(C)(C)C)n[n-]2)c1.OC(c1ccccn1)(C(F)(F)F)C(F)(F)F.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir].c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1
• InChI: InChI=1S/C14H12N2.C13H11N3.C13H16N3.C12H8N3.C12H14N3.5C10H10N2.C9H7N2.C8H5F6NO.2C8H6N3.7Ir/c1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-15-10-16(11-6-3-2-4-7-11)13-12(15)8-5-9-14-13;1-9-5-6-14-10(7-9)11-8-12(16-15-11)13(2,3)4;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;5*1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-2-6-10-8(4-1)9-5-3-7-11-9;9-7(10,11)6(16,8(12,13)14)5-3-1-2-4-15-5;2*1-2-4-9-7(3-1)8-10-5-6-11-8;;;;;;;/h2-7,9-11H,1H3;2-6,8-10H,1H3;5-8H,1-4H3;1-8H;4-8H,1-3H3;5*2-5,7-9H,1H3;1-7H;1-4,16H;2*1-6H;;;;;;;/q2*-2;3*-1;5*-2;-1;;2*-1;;6*+3
• InChIKey: DFKFJMOKUBLUFR-UHFFFAOYSA-N
• XLogP: 28.57
• TPSA: 317.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3839.43
LogP ≤ 5	28.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine?

The IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine (CID 162287329) is 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine.

What is the SMILES notation for 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine?

The canonical SMILES for 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine is CC(C)(C)c1cc(-c2ccccn2)[n-]n1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ncccc21.Cc1ccnc(-c2cc(C(C)(C)C)n[n-]2)c1.OC(c1ccccn1)(C(F)(F)F)C(F)(F)F.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir].c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1.

What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine?

The InChIKey is DFKFJMOKUBLUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C13H11N3.C13H16N3.C12H8N3.C12H14N3.5C10H10N2.C9H7N2.C8H5F6NO.2C8H6N3.7Ir/c1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-15-10-16(11-6-3-2-4-7-11)13-12(15)8-5-9-14-13;1-9-5-6-14-10(7-9)11-8-12(16-15-11)13(2,3)4;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;5*1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-2-6-10-8(4-1)9-5-3-7-11-9;9-7(10,11)6(16,8(12,13)14)5-3-1-2-4-15-5;2*1-2-4-9-7(3-1)8-10-5-6-11-8;;;;;;;/h2-7,9-11H,1H3;2-6,8-10H,1H3;5-8H,1-4H3;1-8H;4-8H,1-3H3;5*2-5,7-9H,1H3;1-7H;1-4,16H;2*1-6H;;;;;;;/q2*-2;3*-1;5*-2;-1;;2*-1;;6*+3.

What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine?

2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine has a molecular weight of 3839.43 g/mol, XLogP of 28.57, 14 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine is sourced from PubChem (CID 162287329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).