3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium)

C171H191F11Ir5N5O10-5 — CID 158211166

About 3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium)

3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium) (PubChem CID 158211166) has the molecular formula C171H191F11Ir5N5O10-5 and a molecular weight of 3646.50 g/mol. Its IUPAC name is 3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium).

Molecular Properties

• Compound Name: 3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium)
• PubChem CID: 158211166
• Molecular Formula: C171H191F11Ir5N5O10-5
• Molecular Weight: 3646.50 g/mol
• Exact Mass: 3648.26
• IUPAC Name: 3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(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.CCC(CC)C(=O)C=C(O)C(CC)CC.CCCC(C)(C)C(=O)C=C(O)C(C)(C)CCC.Cc1[c-]c(-c2nccc3c2c(F)cc2ccccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2cc(F)c2ccccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C)c(C(F)(F)F)cc23)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.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C23H17F3N.C22H15F3N.2C21H15FN.C15H28O2.C13H24O2.3C11H20O2.5Ir/c2*1-13-8-14(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;1-13-9-14(2)11-15(10-13)21-19-12-20(22)18-6-4-3-5-16(18)17(19)7-8-23-21;1-13-9-14(2)11-16(10-13)21-20-18(7-8-23-21)17-6-4-3-5-15(17)12-19(20)22;1-7-9-14(3,4)12(16)11-13(17)15(5,6)10-8-2;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h2*4-9,11-12H,1-3H3;3-10,12H,1-2H3;2*3-10,12H,1-2H3;11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;3*7,12H,1-6H3;;;;;/q5*-1
• InChIKey: YBZJHPPZDJRMCW-UHFFFAOYSA-N
• XLogP: 49.09
• TPSA: 250.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3646.50
LogP ≤ 5	49.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

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-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium)?

The IUPAC name of 3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium) (CID 158211166) is 3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium).

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

The canonical SMILES for 3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(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.CCC(CC)C(=O)C=C(O)C(CC)CC.CCCC(C)(C)C(=O)C=C(O)C(C)(C)CCC.Cc1[c-]c(-c2nccc3c2c(F)cc2ccccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2cc(F)c2ccccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C)c(C(F)(F)F)cc23)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.[Ir].[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is YBZJHPPZDJRMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H17F3N.C22H15F3N.2C21H15FN.C15H28O2.C13H24O2.3C11H20O2.5Ir/c2*1-13-8-14(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;1-13-9-14(2)11-15(10-13)21-19-12-20(22)18-6-4-3-5-16(18)17(19)7-8-23-21;1-13-9-14(2)11-16(10-13)21-20-18(7-8-23-21)17-6-4-3-5-15(17)12-19(20)22;1-7-9-14(3,4)12(16)11-13(17)15(5,6)10-8-2;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h2*4-9,11-12H,1-3H3;3-10,12H,1-2H3;2*3-10,12H,1-2H3;11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;3*7,12H,1-6H3;;;;;/q5*-1;;;;;;;;;;.

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

3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium) has a molecular weight of 3646.50 g/mol, XLogP of 49.09, 22 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium) is sourced from PubChem (CID 158211166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).