[2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane

C148H184Ir4N4O8Si4-4 — CID 161256972

About [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane

[2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane (PubChem CID 161256972) has the molecular formula C148H184Ir4N4O8Si4-4 and a molecular weight of 3028.33 g/mol. Its IUPAC name is [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane.

Molecular Properties

• Compound Name: [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane
• PubChem CID: 161256972
• Molecular Formula: C148H184Ir4N4O8Si4-4
• Molecular Weight: 3028.33 g/mol
• Exact Mass: 3029.17
• IUPAC Name: [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane
• SMILES: CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.CC(C)c1c[c-]c(-c2ccc3c([Si](C)(C)C)cc(-c4ccccc4)cc3n2)cc1.Cc1[c-]c(-c2cc([Si](C)(C)C)c3ccc(-c4ccccc4)cc3n2)cc(C(C)(C)C)c1.Cc1[c-]c(-c2nc3cccc([Si](C)(C)C)c3cc2-c2ccccc2)cc(C)c1.Cc1[c-]c(-c2nc3ccccc3c([Si](C)(C)C)c2-c2ccccc2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C29H32NSi.C27H28NSi.2C26H26NSi.2C11H20O2.2C9H16O2.4Ir/c1-20-15-23(17-24(16-20)29(2,3)4)26-19-28(31(5,6)7)25-14-13-22(18-27(25)30-26)21-11-9-8-10-12-21;1-19(2)20-11-13-22(14-12-20)25-16-15-24-26(28-25)17-23(18-27(24)29(3,4)5)21-9-7-6-8-10-21;1-18-15-19(2)17-21(16-18)25-24(20-11-7-6-8-12-20)26(28(3,4)5)22-13-9-10-14-23(22)27-25;1-18-14-19(2)16-21(15-18)26-22(20-10-7-6-8-11-20)17-23-24(27-26)12-9-13-25(23)28(3,4)5;2*1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-6(2)8(10)5-9(11)7(3)4;;;;/h8-14,16-19H,1-7H3;6-13,15-19H,1-5H3;6-16H,1-5H3;6-15,17H,1-5H3;2*7,12H,1-6H3;2*5-7,10H,1-4H3;;;;/q4*-1
• InChIKey: OUWCAZKAOZNSAF-UHFFFAOYSA-N
• XLogP: 38.41
• TPSA: 200.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3028.33
LogP ≤ 5	38.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane?

The IUPAC name of [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane (CID 161256972) is [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane.

What is the SMILES notation for [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane?

The canonical SMILES for [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.CC(C)c1c[c-]c(-c2ccc3c([Si](C)(C)C)cc(-c4ccccc4)cc3n2)cc1.Cc1[c-]c(-c2cc([Si](C)(C)C)c3ccc(-c4ccccc4)cc3n2)cc(C(C)(C)C)c1.Cc1[c-]c(-c2nc3cccc([Si](C)(C)C)c3cc2-c2ccccc2)cc(C)c1.Cc1[c-]c(-c2nc3ccccc3c([Si](C)(C)C)c2-c2ccccc2)cc(C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane?

The InChIKey is OUWCAZKAOZNSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32NSi.C27H28NSi.2C26H26NSi.2C11H20O2.2C9H16O2.4Ir/c1-20-15-23(17-24(16-20)29(2,3)4)26-19-28(31(5,6)7)25-14-13-22(18-27(25)30-26)21-11-9-8-10-12-21;1-19(2)20-11-13-22(14-12-20)25-16-15-24-26(28-25)17-23(18-27(24)29(3,4)5)21-9-7-6-8-10-21;1-18-15-19(2)17-21(16-18)25-24(20-11-7-6-8-12-20)26(28(3,4)5)22-13-9-10-14-23(22)27-25;1-18-14-19(2)16-21(15-18)26-22(20-10-7-6-8-11-20)17-23-24(27-26)12-9-13-25(23)28(3,4)5;2*1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-6(2)8(10)5-9(11)7(3)4;;;;/h8-14,16-19H,1-7H3;6-13,15-19H,1-5H3;6-16H,1-5H3;6-15,17H,1-5H3;2*7,12H,1-6H3;2*5-7,10H,1-4H3;;;;/q4*-1;;;;;;;;.

What are the key properties of [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane?

[2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane has a molecular weight of 3028.33 g/mol, XLogP of 38.41, 21 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane is sourced from PubChem (CID 161256972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).