[2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane

C123H146Ir3N3O6Si3-3 — CID 159737895

About [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane

[2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane (PubChem CID 159737895) has the molecular formula C123H146Ir3N3O6Si3-3 and a molecular weight of 2423.44 g/mol. Its IUPAC name is [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane.

Molecular Properties

• Compound Name: [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane
• PubChem CID: 159737895
• Molecular Formula: C123H146Ir3N3O6Si3-3
• Molecular Weight: 2423.44 g/mol
• Exact Mass: 2423.94
• IUPAC Name: [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane
• SMILES: CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)c1c[c-]c(-c2ccc3c(-c4ccccc4)c([Si](C)(C)C)ccc3n2)cc1.CC(C)C(O)=CC(=O)C(C)(C)C.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.C[Si](C)(C)c1ccc2nc(-c3[c-]ccc(-c4ccccc4)c3)ccc2c1-c1ccccc1.Cc1[c-]c(-c2ccc3c(-c4ccccc4)c([Si](C)(C)C)ccc3n2)cc(-c2ccccc2)c1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C31H28NSi.C30H26NSi.C28H30NSi.C13H24O2.C11H20O2.C10H18O2.3Ir/c1-22-19-25(23-11-7-5-8-12-23)21-26(20-22)28-16-15-27-29(32-28)17-18-30(33(2,3)4)31(27)24-13-9-6-10-14-24;1-32(2,3)29-20-19-28-26(30(29)23-13-8-5-9-14-23)17-18-27(31-28)25-16-10-15-24(21-25)22-11-6-4-7-12-22;1-28(2,3)22-14-12-20(13-15-22)24-17-16-23-25(29-24)18-19-26(30(4,5)6)27(23)21-10-8-7-9-11-21;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-10(2,3)8(12)7-9(13)11(4,5)6;1-7(2)8(11)6-9(12)10(3,4)5;;;/h5-19,21H,1-4H3;4-15,17-21H,1-3H3;7-12,14-19H,1-6H3;9,14H,7-8H2,1-6H3;7,12H,1-6H3;6-7,11H,1-5H3;;;/q3*-1
• InChIKey: YPFDLTVHTCYVPT-UHFFFAOYSA-N
• XLogP: 32.33
• TPSA: 150.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2423.44
LogP ≤ 5	32.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane?

The IUPAC name of [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane (CID 159737895) is [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane.

What is the SMILES notation for [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane?

The canonical SMILES for [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)c1c[c-]c(-c2ccc3c(-c4ccccc4)c([Si](C)(C)C)ccc3n2)cc1.CC(C)C(O)=CC(=O)C(C)(C)C.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.C[Si](C)(C)c1ccc2nc(-c3[c-]ccc(-c4ccccc4)c3)ccc2c1-c1ccccc1.Cc1[c-]c(-c2ccc3c(-c4ccccc4)c([Si](C)(C)C)ccc3n2)cc(-c2ccccc2)c1.[Ir].[Ir].[Ir].

What is the InChIKey of [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane?

The InChIKey is YPFDLTVHTCYVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28NSi.C30H26NSi.C28H30NSi.C13H24O2.C11H20O2.C10H18O2.3Ir/c1-22-19-25(23-11-7-5-8-12-23)21-26(20-22)28-16-15-27-29(32-28)17-18-30(33(2,3)4)31(27)24-13-9-6-10-14-24;1-32(2,3)29-20-19-28-26(30(29)23-13-8-5-9-14-23)17-18-27(31-28)25-16-10-15-24(21-25)22-11-6-4-7-12-22;1-28(2,3)22-14-12-20(13-15-22)24-17-16-23-25(29-24)18-19-26(30(4,5)6)27(23)21-10-8-7-9-11-21;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-10(2,3)8(12)7-9(13)11(4,5)6;1-7(2)8(11)6-9(12)10(3,4)5;;;/h5-19,21H,1-4H3;4-15,17-21H,1-3H3;7-12,14-19H,1-6H3;9,14H,7-8H2,1-6H3;7,12H,1-6H3;6-7,11H,1-5H3;;;/q3*-1;;;;;;.

What are the key properties of [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane?

[2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane has a molecular weight of 2423.44 g/mol, XLogP of 32.33, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-5-phenylquinolin-6-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane is sourced from PubChem (CID 159737895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).