[4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane

C134H114Ir3N8O3SSi3-6 — CID 160796723

About [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane

[4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane (PubChem CID 160796723) has the molecular formula C134H114Ir3N8O3SSi3-6 and a molecular weight of 2577.41 g/mol. Its IUPAC name is [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
• PubChem CID: 160796723
• Molecular Formula: C134H114Ir3N8O3SSi3-6
• Molecular Weight: 2577.41 g/mol
• Exact Mass: 2577.70
• IUPAC Name: [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
• SMILES: CC(C)(C)c1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.C[Si](C)(C)c1cnc(-c2[c-]ccc(Oc3ccccc3)c2)cc1-c1ccccc1.Cc1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)sc1ccccc12.[c-]1cc2c3ccccc3n(-c3ccccc3)c2cc1-c1ccccn1.[c-]1cc2c3ccccc3n(-c3ccccc3)c2cc1-c1ccccn1
• InChI: InChI=1S/C26H24NOSi.C24H28NOSi.2C23H15N2.C21H22NOSi.C17H10NS.3Ir/c1-29(2,3)26-19-27-25(18-24(26)20-11-6-4-7-12-20)21-13-10-16-23(17-21)28-22-14-8-5-9-15-22;1-24(2,3)21-16-22(25-17-23(21)27(4,5)6)18-11-10-14-20(15-18)26-19-12-8-7-9-13-19;2*1-2-8-18(9-3-1)25-22-12-5-4-10-19(22)20-14-13-17(16-23(20)25)21-11-6-7-15-24-21;1-16-13-20(22-15-21(16)24(2,3)4)17-9-8-12-19(14-17)23-18-10-6-5-7-11-18;1-2-7-16-13(5-1)14-9-8-12(11-17(14)19-16)15-6-3-4-10-18-15;;;/h4-12,14-19H,1-3H3;7-10,12-17H,1-6H3;2*1-12,14-16H;5-8,10-15H,1-4H3;1-7,9-11H;;;/q6*-1
• InChIKey: QPNHLGDNVLMMRR-UHFFFAOYSA-N
• XLogP: 34.13
• TPSA: 114.89 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2577.41
LogP ≤ 5	34.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane?

The IUPAC name of [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane (CID 160796723) is [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane.

What is the SMILES notation for [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane?

The canonical SMILES for [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane is CC(C)(C)c1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.C[Si](C)(C)c1cnc(-c2[c-]ccc(Oc3ccccc3)c2)cc1-c1ccccc1.Cc1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)sc1ccccc12.[c-]1cc2c3ccccc3n(-c3ccccc3)c2cc1-c1ccccn1.[c-]1cc2c3ccccc3n(-c3ccccc3)c2cc1-c1ccccn1.

What is the InChIKey of [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane?

The InChIKey is QPNHLGDNVLMMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NOSi.C24H28NOSi.2C23H15N2.C21H22NOSi.C17H10NS.3Ir/c1-29(2,3)26-19-27-25(18-24(26)20-11-6-4-7-12-20)21-13-10-16-23(17-21)28-22-14-8-5-9-15-22;1-24(2,3)21-16-22(25-17-23(21)27(4,5)6)18-11-10-14-20(15-18)26-19-12-8-7-9-13-19;2*1-2-8-18(9-3-1)25-22-12-5-4-10-19(22)20-14-13-17(16-23(20)25)21-11-6-7-15-24-21;1-16-13-20(22-15-21(16)24(2,3)4)17-9-8-12-19(14-17)23-18-10-6-5-7-11-18;1-2-7-16-13(5-1)14-9-8-12(11-17(14)19-16)15-6-3-4-10-18-15;;;/h4-12,14-19H,1-3H3;7-10,12-17H,1-6H3;2*1-12,14-16H;5-8,10-15H,1-4H3;1-7,9-11H;;;/q6*-1;;;.

What are the key properties of [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane?

[4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane has a molecular weight of 2577.41 g/mol, XLogP of 34.13, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 160796723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).