1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)

C183H246Ir5N5O10-5 — CID 162096135

About 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)

1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium) (PubChem CID 162096135) has the molecular formula C183H246Ir5N5O10-5 and a molecular weight of 3637.09 g/mol. Its IUPAC name is 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium).

Molecular Properties

• Compound Name: 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)
• PubChem CID: 162096135
• Molecular Formula: C183H246Ir5N5O10-5
• Molecular Weight: 3637.09 g/mol
• Exact Mass: 3638.71
• IUPAC Name: 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nccc3c(C)c(C(C)C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C4CCCCC4)ccc23)cc(C(C)(C)C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C4CCCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C4CCCCCC4)ccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C28H34N.C26H30N.2C25H28N.C24H26N.5C11H20O2.5Ir/c1-19-15-24(18-25(16-19)28(3,4)5)27-26-12-11-22(17-23(26)13-14-29-27)20(2)21-9-7-6-8-10-21;1-18-14-19(2)16-24(15-18)26-25-11-10-22(17-23(25)12-13-27-26)20(3)21-8-6-4-5-7-9-21;1-16-13-17(2)15-21(14-16)25-24-10-9-22(18(3)20-7-5-6-8-20)19(4)23(24)11-12-26-25;1-17-13-18(2)15-23(14-17)25-24-10-9-21(16-22(24)11-12-26-25)19(3)20-7-5-4-6-8-20;1-16-12-17(2)14-22(13-16)24-23-9-8-20(15-21(23)10-11-25-24)18(3)19-6-4-5-7-19;5*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h11-14,16-18,20-21H,6-10H2,1-5H3;10-15,17,20-21H,4-9H2,1-3H3;9-14,18,20H,5-8H2,1-4H3;9-14,16,19-20H,4-8H2,1-3H3;8-13,15,18-19H,4-7H2,1-3H3;5*7,12H,1-6H3;;;;;/q5*-1
• InChIKey: REBOIMFAXOUQFI-UHFFFAOYSA-N
• XLogP: 51.36
• TPSA: 250.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3637.09
LogP ≤ 5	51.36
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'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)?

The IUPAC name of 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium) (CID 162096135) is 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium).

What is the SMILES notation for 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)?

The canonical SMILES for 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nccc3c(C)c(C(C)C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C4CCCCC4)ccc23)cc(C(C)(C)C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C4CCCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C4CCCCCC4)ccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)?

The InChIKey is REBOIMFAXOUQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N.C26H30N.2C25H28N.C24H26N.5C11H20O2.5Ir/c1-19-15-24(18-25(16-19)28(3,4)5)27-26-12-11-22(17-23(26)13-14-29-27)20(2)21-9-7-6-8-10-21;1-18-14-19(2)16-24(15-18)26-25-11-10-22(17-23(25)12-13-27-26)20(3)21-8-6-4-5-7-9-21;1-16-13-17(2)15-21(14-16)25-24-10-9-22(18(3)20-7-5-6-8-20)19(4)23(24)11-12-26-25;1-17-13-18(2)15-23(14-17)25-24-10-9-21(16-22(24)11-12-26-25)19(3)20-7-5-4-6-8-20;1-16-12-17(2)14-22(13-16)24-23-9-8-20(15-21(23)10-11-25-24)18(3)19-6-4-5-7-19;5*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h11-14,16-18,20-21H,6-10H2,1-5H3;10-15,17,20-21H,4-9H2,1-3H3;9-14,18,20H,5-8H2,1-4H3;9-14,16,19-20H,4-8H2,1-3H3;8-13,15,18-19H,4-7H2,1-3H3;5*7,12H,1-6H3;;;;;/q5*-1;;;;;;;;;;.

What are the key properties of 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)?

1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium) has a molecular weight of 3637.09 g/mol, XLogP of 51.36, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-6-(1-cyclohexylethyl)isoquinoline;6-(1-cycloheptylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(1-cyclopentylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)-5-methylisoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium) is sourced from PubChem (CID 162096135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).