1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)

C145H160F12Ir4N4O8-4 — CID 158006724

About 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)

1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) (PubChem CID 158006724) has the molecular formula C145H160F12Ir4N4O8-4 and a molecular weight of 3083.74 g/mol. Its IUPAC name is 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium).

Molecular Properties

• Compound Name: 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)
• PubChem CID: 158006724
• Molecular Formula: C145H160F12Ir4N4O8-4
• Molecular Weight: 3083.74 g/mol
• Exact Mass: 3085.06
• IUPAC Name: 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)
• SMILES: CC(C)(C)C(=O)C=C(O)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(C)C(O)=CC(=O)C(C)(CC)CC.CCC(C)(CC)C(O)=CC(=O)C(C)(C)C.Cc1[c-]c(-c2nccc3c2ccc2c(C(F)(F)F)cccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C)c(C(F)(F)F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2ccc(C(F)(F)F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cccc(C(F)(F)F)c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H17F3N.3C22H15F3N.C17H26O2.C14H26O2.C13H24O2.C12H22O2.4Ir/c1-13-8-14(2)10-17(9-13)22-19-5-4-16-11-15(3)21(23(24,25)26)12-20(16)18(19)6-7-27-22;1-13-9-14(2)11-16(10-13)21-19-6-4-15-3-5-17(22(23,24)25)12-20(15)18(19)7-8-26-21;1-13-10-14(2)12-15(11-13)21-19-7-6-18-16(17(19)8-9-26-21)4-3-5-20(18)22(23,24)25;1-13-10-14(2)12-16(11-13)21-18-7-6-15-4-3-5-19(22(23,24)25)20(15)17(18)8-9-26-21;1-16(2,3)14(18)7-15(19)17-8-11-4-12(9-17)6-13(5-11)10-17;1-7-13(4,5)11(15)10-12(16)14(6,8-2)9-3;1-7-13(6,8-2)11(15)9-10(14)12(3,4)5;1-7-12(5,6)10(14)8-9(13)11(2,3)4;;;;/h4-9,11-12H,1-3H3;3-10,12H,1-2H3;2*3-11H,1-2H3;7,11-13,19H,4-6,8-10H2,1-3H3;10,15H,7-9H2,1-6H3;9,15H,7-8H2,1-6H3;8,13H,7H2,1-6H3;;;;/q4*-1
• InChIKey: ZGEIRTXSPPWECF-UHFFFAOYSA-N
• XLogP: 42.13
• TPSA: 200.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3083.74
LogP ≤ 5	42.13
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?

The IUPAC name of 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) (CID 158006724) is 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium).

What is the SMILES notation for 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?

The canonical SMILES for 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) is CC(C)(C)C(=O)C=C(O)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(C)C(O)=CC(=O)C(C)(CC)CC.CCC(C)(CC)C(O)=CC(=O)C(C)(C)C.Cc1[c-]c(-c2nccc3c2ccc2c(C(F)(F)F)cccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C)c(C(F)(F)F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2ccc(C(F)(F)F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cccc(C(F)(F)F)c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?

The InChIKey is ZGEIRTXSPPWECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N.3C22H15F3N.C17H26O2.C14H26O2.C13H24O2.C12H22O2.4Ir/c1-13-8-14(2)10-17(9-13)22-19-5-4-16-11-15(3)21(23(24,25)26)12-20(16)18(19)6-7-27-22;1-13-9-14(2)11-16(10-13)21-19-6-4-15-3-5-17(22(23,24)25)12-20(15)18(19)7-8-26-21;1-13-10-14(2)12-15(11-13)21-19-7-6-18-16(17(19)8-9-26-21)4-3-5-20(18)22(23,24)25;1-13-10-14(2)12-16(11-13)21-18-7-6-15-4-3-5-19(22(23,24)25)20(15)17(18)8-9-26-21;1-16(2,3)14(18)7-15(19)17-8-11-4-12(9-17)6-13(5-11)10-17;1-7-13(4,5)11(15)10-12(16)14(6,8-2)9-3;1-7-13(6,8-2)11(15)9-10(14)12(3,4)5;1-7-12(5,6)10(14)8-9(13)11(2,3)4;;;;/h4-9,11-12H,1-3H3;3-10,12H,1-2H3;2*3-11H,1-2H3;7,11-13,19H,4-6,8-10H2,1-3H3;10,15H,7-9H2,1-6H3;9,15H,7-8H2,1-6H3;8,13H,7H2,1-6H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?

1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) has a molecular weight of 3083.74 g/mol, XLogP of 42.13, 19 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-adamantyl)-1-hydroxy-4,4-dimethylpent-1-en-3-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-10-(trifluoromethyl)benzo[f]isoquinoline;3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) is sourced from PubChem (CID 158006724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).