3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium)

C116H148Ir3N3O6Si3-3 — CID 158724797

About 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium)

3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium) (PubChem CID 158724797) has the molecular formula C116H148Ir3N3O6Si3-3 and a molecular weight of 2341.38 g/mol. Its IUPAC name is 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium).

Molecular Properties

• Compound Name: 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium)
• PubChem CID: 158724797
• Molecular Formula: C116H148Ir3N3O6Si3-3
• Molecular Weight: 2341.38 g/mol
• Exact Mass: 2341.96
• IUPAC Name: 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium)
• SMILES: CC(C)C(O)=CC(=O)C(C)(C)C.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1[c-]c(-c2ccc3c(-c4ccccc4)c([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(-c4ccccc4)c([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(-c4ccccc4)c([Si](C)(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/3C26H26NSi.C15H28O2.C13H24O2.C10H18O2.3Ir/c3*1-18-15-19(2)17-21(16-18)23-12-11-22-24(27-23)13-14-25(28(3,4)5)26(22)20-9-7-6-8-10-20;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-7(2)8(11)6-9(12)10(3,4)5;;;/h3*6-16H,1-5H3;11,16H,7-10H2,1-6H3;9,14H,7-8H2,1-6H3;6-7,11H,1-5H3;;;/q3*-1
• InChIKey: BUMRPMVDZLIKKU-UHFFFAOYSA-N
• XLogP: 30.80
• TPSA: 150.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2341.38
LogP ≤ 5	30.80
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 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium)?

The IUPAC name of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium) (CID 158724797) is 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium).

What is the SMILES notation for 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium)?

The canonical SMILES for 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium) is CC(C)C(O)=CC(=O)C(C)(C)C.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1[c-]c(-c2ccc3c(-c4ccccc4)c([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(-c4ccccc4)c([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(-c4ccccc4)c([Si](C)(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].

What is the InChIKey of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium)?

The InChIKey is BUMRPMVDZLIKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H26NSi.C15H28O2.C13H24O2.C10H18O2.3Ir/c3*1-18-15-19(2)17-21(16-18)23-12-11-22-24(27-23)13-14-25(28(3,4)5)26(22)20-9-7-6-8-10-20;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-7(2)8(11)6-9(12)10(3,4)5;;;/h3*6-16H,1-5H3;11,16H,7-10H2,1-6H3;9,14H,7-8H2,1-6H3;6-7,11H,1-5H3;;;/q3*-1;;;;;;.

What are the key properties of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium)?

3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium) has a molecular weight of 2341.38 g/mol, XLogP of 30.80, 23 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium) is sourced from PubChem (CID 158724797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).