3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium)

C201H218F16Ir6N6O12-6 — CID 158337825

About 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium)

3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium) (PubChem CID 158337825) has the molecular formula C201H218F16Ir6N6O12-6 and a molecular weight of 4367.25 g/mol. Its IUPAC name is 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium).

Molecular Properties

• Compound Name: 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium)
• PubChem CID: 158337825
• Molecular Formula: C201H218F16Ir6N6O12-6
• Molecular Weight: 4367.25 g/mol
• Exact Mass: 4369.42
• IUPAC Name: 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium)
• 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)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3c(C(F)(F)F)cc4ccccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3c(F)cc4ccccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(F)(F)F)c4ccccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3ccc4c(C(F)(F)F)cccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3ccc4cc(C(F)(F)F)ccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3ccc4ccc(C(F)(F)F)cc4c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/5C22H15F3N.C21H15FN.C15H28O2.5C11H20O2.6Ir/c1-13-9-14(2)11-17(10-13)21-20-15(7-8-26-21)3-4-16-12-18(22(23,24)25)5-6-19(16)20;1-13-9-14(2)11-17(10-13)21-20-16(7-8-26-21)4-3-15-5-6-18(12-19(15)20)22(23,24)25;1-13-10-14(2)12-16(11-13)21-20-15(8-9-26-21)6-7-17-18(20)4-3-5-19(17)22(23,24)25;1-13-9-14(2)11-16(10-13)21-20-15(7-8-26-21)12-19(22(23,24)25)17-5-3-4-6-18(17)20;1-13-9-14(2)11-16(10-13)21-20-17-6-4-3-5-15(17)12-19(22(23,24)25)18(20)7-8-26-21;1-13-9-14(2)11-16(10-13)21-20-17-6-4-3-5-15(17)12-19(22)18(20)7-8-23-21;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;5*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;;/h2*3-10,12H,1-2H3;3-11H,1-2H3;2*3-10,12H,1-2H3;3-10,12H,1-2H3;11,16H,7-10H2,1-6H3;5*7,12H,1-6H3;;;;;;/q6*-1
• InChIKey: FJNQNFSBMWQZMJ-UHFFFAOYSA-N
• XLogP: 58.15
• TPSA: 301.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4367.25
LogP ≤ 5	58.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium)?

The IUPAC name of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium) (CID 158337825) is 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium).

What is the SMILES notation for 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium)?

The canonical SMILES for 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium) 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)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3c(C(F)(F)F)cc4ccccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3c(F)cc4ccccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(F)(F)F)c4ccccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3ccc4c(C(F)(F)F)cccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3ccc4cc(C(F)(F)F)ccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3ccc4ccc(C(F)(F)F)cc4c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium)?

The InChIKey is FJNQNFSBMWQZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C22H15F3N.C21H15FN.C15H28O2.5C11H20O2.6Ir/c1-13-9-14(2)11-17(10-13)21-20-15(7-8-26-21)3-4-16-12-18(22(23,24)25)5-6-19(16)20;1-13-9-14(2)11-17(10-13)21-20-16(7-8-26-21)4-3-15-5-6-18(12-19(15)20)22(23,24)25;1-13-10-14(2)12-16(11-13)21-20-15(8-9-26-21)6-7-17-18(20)4-3-5-19(17)22(23,24)25;1-13-9-14(2)11-16(10-13)21-20-15(7-8-26-21)12-19(22(23,24)25)17-5-3-4-6-18(17)20;1-13-9-14(2)11-16(10-13)21-20-17-6-4-3-5-15(17)12-19(22(23,24)25)18(20)7-8-26-21;1-13-9-14(2)11-16(10-13)21-20-17-6-4-3-5-15(17)12-19(22)18(20)7-8-23-21;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;5*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;;/h2*3-10,12H,1-2H3;3-11H,1-2H3;2*3-10,12H,1-2H3;3-10,12H,1-2H3;11,16H,7-10H2,1-6H3;5*7,12H,1-6H3;;;;;;/q6*-1;;;;;;;;;;;;.

What are the key properties of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium)?

3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium) has a molecular weight of 4367.25 g/mol, XLogP of 58.15, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium) is sourced from PubChem (CID 158337825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).