2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine)

C161H154Ir4N8-8 — CID 163986028

About 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine)

2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine) (PubChem CID 163986028) has the molecular formula C161H154Ir4N8-8 and a molecular weight of 2979.99 g/mol. Its IUPAC name is 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine).

Molecular Properties

• Compound Name: 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine)
• PubChem CID: 163986028
• Molecular Formula: C161H154Ir4N8-8
• Molecular Weight: 2979.99 g/mol
• Exact Mass: 2981.15
• IUPAC Name: 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine)
• SMILES: CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])C(C)(C)C.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc(C(C)(C)C)c2)c1.[2H]C([2H])(c1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1)C(C)(C)C.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C22H22N.5C20H18N.C17H20N.4Ir/c1-22(2,3)20-11-7-10-19(16-20)21-15-18(12-13-23-21)14-17-8-5-4-6-9-17;1-22(2,3)16-17-13-14-23-21(15-17)20-11-9-19(10-12-20)18-7-5-4-6-8-18;4*1-20(2,17-11-7-4-8-12-17)18-13-14-21-19(15-18)16-9-5-3-6-10-16;1-15(2)17-11-12-21-20(14-17)19-10-6-9-18(13-19)16-7-4-3-5-8-16;1-13-12-18-16(14-8-6-5-7-9-14)10-15(13)11-17(2,3)4;;;;/h4-9,11-13,15-16H,14H2,1-3H3;4-11,13-15H,16H2,1-3H3;5*3-9,11-15H,1-2H3;5-8,10,12H,11H2,1-4H3;;;;/q8*-1;;;;/i14D2;16D2;;;;;15D;1D3,11D2
• InChIKey: LJVKUHYCHPEORW-ICWPOJKWSA-N
• XLogP: 40.52
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2979.99
LogP ≤ 5	40.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine)?

The IUPAC name of 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine) (CID 163986028) is 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine).

What is the SMILES notation for 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine)?

The canonical SMILES for 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine) is CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])C(C)(C)C.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc(C(C)(C)C)c2)c1.[2H]C([2H])(c1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1)C(C)(C)C.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine)?

The InChIKey is LJVKUHYCHPEORW-ICWPOJKWSA-N. The full InChI is InChI=1S/2C22H22N.5C20H18N.C17H20N.4Ir/c1-22(2,3)20-11-7-10-19(16-20)21-15-18(12-13-23-21)14-17-8-5-4-6-9-17;1-22(2,3)16-17-13-14-23-21(15-17)20-11-9-19(10-12-20)18-7-5-4-6-8-18;4*1-20(2,17-11-7-4-8-12-17)18-13-14-21-19(15-18)16-9-5-3-6-10-16;1-15(2)17-11-12-21-20(14-17)19-10-6-9-18(13-19)16-7-4-3-5-8-16;1-13-12-18-16(14-8-6-5-7-9-14)10-15(13)11-17(2,3)4;;;;/h4-9,11-13,15-16H,14H2,1-3H3;4-11,13-15H,16H2,1-3H3;5*3-9,11-15H,1-2H3;5-8,10,12H,11H2,1-4H3;;;;/q8*-1;;;;/i14D2;16D2;;;;;15D;1D3,11D2;;;;.

What are the key properties of 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine)?

2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine) has a molecular weight of 2979.99 g/mol, XLogP of 40.52, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(2-phenyl-4-(2-phenylpropan-2-yl)pyridine) is sourced from PubChem (CID 163986028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).