8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)

C142H164F8Ir4N4O8-4 — CID 159360508

About 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)

8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) (PubChem CID 159360508) has the molecular formula C142H164F8Ir4N4O8-4 and a molecular weight of 2975.75 g/mol. Its IUPAC name is 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium).

Molecular Properties

• Compound Name: 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)
• PubChem CID: 159360508
• Molecular Formula: C142H164F8Ir4N4O8-4
• Molecular Weight: 2975.75 g/mol
• Exact Mass: 2977.10
• IUPAC Name: 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)
• SMILES: CCC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCc1cccc2c1cc(F)c1c(-c3[c-]c(C)cc(C)c3)nccc12.Cc1[c-]c(-c2nccc3c2c(F)cc2c(C)cccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C(C)(F)F)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(CC(F)(F)F)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H16F4N.C23H18F2N.C23H19FN.C22H17FN.3C13H24O2.C12H22O2.4Ir/c1-13-7-14(2)9-16(8-13)22-19-4-3-15-10-17(12-23(25,26)27)21(24)11-20(15)18(19)5-6-28-22;1-14-10-15(2)12-17(11-14)22-21-6-4-16-13-18(23(3,24)25)5-7-19(16)20(21)8-9-26-22;1-4-16-6-5-7-18-19-8-9-25-23(22(19)21(24)13-20(16)18)17-11-14(2)10-15(3)12-17;1-13-9-14(2)11-16(10-13)22-21-18(7-8-24-22)17-6-4-5-15(3)19(17)12-20(21)23;3*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-7-12(5,6)10(14)8-9(13)11(2,3)4;;;;/h3-8,10-11H,12H2,1-2H3;4-11,13H,1-3H3;5-11,13H,4H2,1-3H3;4-10,12H,1-3H3;3*9,14H,7-8H2,1-6H3;8,13H,7H2,1-6H3;;;;/q4*-1
• InChIKey: DSMTXEWAUZCQJT-UHFFFAOYSA-N
• XLogP: 40.47
• TPSA: 200.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2975.75
LogP ≤ 5	40.47
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 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?

The IUPAC name of 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) (CID 159360508) is 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium).

What is the SMILES notation for 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?

The canonical SMILES for 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) is CCC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCc1cccc2c1cc(F)c1c(-c3[c-]c(C)cc(C)c3)nccc12.Cc1[c-]c(-c2nccc3c2c(F)cc2c(C)cccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C(C)(F)F)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(CC(F)(F)F)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?

The InChIKey is DSMTXEWAUZCQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N.C23H18F2N.C23H19FN.C22H17FN.3C13H24O2.C12H22O2.4Ir/c1-13-7-14(2)9-16(8-13)22-19-4-3-15-10-17(12-23(25,26)27)21(24)11-20(15)18(19)5-6-28-22;1-14-10-15(2)12-17(11-14)22-21-6-4-16-13-18(23(3,24)25)5-7-19(16)20(21)8-9-26-22;1-4-16-6-5-7-18-19-8-9-25-23(22(19)21(24)13-20(16)18)17-11-14(2)10-15(3)12-17;1-13-9-14(2)11-16(10-13)22-21-18(7-8-24-22)17-6-4-5-15(3)19(17)12-20(21)23;3*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-7-12(5,6)10(14)8-9(13)11(2,3)4;;;;/h3-8,10-11H,12H2,1-2H3;4-11,13H,1-3H3;5-11,13H,4H2,1-3H3;4-10,12H,1-3H3;3*9,14H,7-8H2,1-6H3;8,13H,7H2,1-6H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?

8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) has a molecular weight of 2975.75 g/mol, XLogP of 40.47, 25 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethyl-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) is sourced from PubChem (CID 159360508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).