4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine)

C132H148Ir4N6O4-6 — CID 157280100

About 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine)

4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 157280100) has the molecular formula C132H148Ir4N6O4-6 and a molecular weight of 2657.58 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

• Compound Name: 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine)
• PubChem CID: 157280100
• Molecular Formula: C132H148Ir4N6O4-6
• Molecular Weight: 2657.58 g/mol
• Exact Mass: 2659.05
• IUPAC Name: 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine)
• SMILES: CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CCC(C)C(=O)C=C(O)C(C)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3cc(CC(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(CC(C)C)ccc23)cc(C)c1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C21H22N.2C21H20N.C13H24O2.2C12H10N.C11H20O2.4Ir/c2*1-14(2)9-17-5-6-20-18(13-17)7-8-22-21(20)19-11-15(3)10-16(4)12-19;1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-5-8(3)10(12)7-11(13)9(4)6-2;;;;/h2*5-8,10-11,13-14H,9H2,1-4H3;2*4-10,12-15H,1-3H3;9-11,14H,5-8H2,1-4H3;2*2-5,7-9H,1H3;7-9,12H,5-6H2,1-4H3;;;;/q4*-1;;2*-1;;;;;/i;;;;;2*1D3
• InChIKey: DAGBKWMXCJAFDW-RYELSJNFSA-N
• XLogP: 34.73
• TPSA: 151.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2657.58
LogP ≤ 5	34.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine)?

The IUPAC name of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine) (CID 157280100) is 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine).

What is the SMILES notation for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine)?

The canonical SMILES for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine) is CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CCC(C)C(=O)C=C(O)C(C)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3cc(CC(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(CC(C)C)ccc23)cc(C)c1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine)?

The InChIKey is DAGBKWMXCJAFDW-RYELSJNFSA-N. The full InChI is InChI=1S/2C21H22N.2C21H20N.C13H24O2.2C12H10N.C11H20O2.4Ir/c2*1-14(2)9-17-5-6-20-18(13-17)7-8-22-21(20)19-11-15(3)10-16(4)12-19;1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-5-8(3)10(12)7-11(13)9(4)6-2;;;;/h2*5-8,10-11,13-14H,9H2,1-4H3;2*4-10,12-15H,1-3H3;9-11,14H,5-8H2,1-4H3;2*2-5,7-9H,1H3;7-9,12H,5-6H2,1-4H3;;;;/q4*-1;;2*-1;;;;;/i;;;;;2*1D3;;;;;.

What are the key properties of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine)?

4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 2657.58 g/mol, XLogP of 34.73, 26 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline);6-hydroxy-3,7-dimethylnon-5-en-4-one;tetrakis(iridium);bis(2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 157280100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).