[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)

C135H130Ir4N12O4Si4-8 — CID 158058991

About [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)

[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) (PubChem CID 158058991) has the molecular formula C135H130Ir4N12O4Si4-8 and a molecular weight of 2865.82 g/mol. Its IUPAC name is [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane).

Molecular Properties

• Compound Name: [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)
• PubChem CID: 158058991
• Molecular Formula: C135H130Ir4N12O4Si4-8
• Molecular Weight: 2865.82 g/mol
• Exact Mass: 2866.80
• IUPAC Name: [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)
• SMILES: CC(C)(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccc(-c2nnc(-c3[c-]cccc3)o2)cc1.Cc1ccc(-c2nnc(-c3[c-]cccc3)o2)cc1.Cc1ccc(-c2nnc(-c3[c-]cccc3)o2)cc1.Cc1ccc(-c2nnc(-c3[c-]cccc3)o2)cc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C24H28NSi.C21H22NSi.4C15H11N2O.2C15H18NSi.4Ir/c1-24(2,3)21-16-22(25-17-23(21)26(4,5)6)20-14-10-13-19(15-20)18-11-8-7-9-12-18;1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;4*1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12;2*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;/h7-13,15-17H,1-6H3;5-11,13-15H,1-4H3;4*2-5,7-10H,1H3;2*5-8,10-11H,1-4H3;;;;/q8*-1
• InChIKey: GYARRKNQRDQSIG-UHFFFAOYSA-N
• XLogP: 31.97
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2865.82
LogP ≤ 5	31.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)?

The IUPAC name of [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) (CID 158058991) is [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane).

What is the SMILES notation for [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)?

The canonical SMILES for [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) is CC(C)(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccc(-c2nnc(-c3[c-]cccc3)o2)cc1.Cc1ccc(-c2nnc(-c3[c-]cccc3)o2)cc1.Cc1ccc(-c2nnc(-c3[c-]cccc3)o2)cc1.Cc1ccc(-c2nnc(-c3[c-]cccc3)o2)cc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)?

The InChIKey is GYARRKNQRDQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NSi.C21H22NSi.4C15H11N2O.2C15H18NSi.4Ir/c1-24(2,3)21-16-22(25-17-23(21)26(4,5)6)20-14-10-13-19(15-20)18-11-8-7-9-12-18;1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;4*1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12;2*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;/h7-13,15-17H,1-6H3;5-11,13-15H,1-4H3;4*2-5,7-10H,1H3;2*5-8,10-11H,1-4H3;;;;/q8*-1;;;;.

What are the key properties of [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)?

[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) has a molecular weight of 2865.82 g/mol, XLogP of 31.97, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 158058991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).