2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one

C184H238F6Ir4N4O8-4 — CID 157288452

About 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one

2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one (PubChem CID 157288452) has the molecular formula C184H238F6Ir4N4O8-4 and a molecular weight of 3516.80 g/mol. Its IUPAC name is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one.

Molecular Properties

• Compound Name: 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one
• PubChem CID: 157288452
• Molecular Formula: C184H238F6Ir4N4O8-4
• Molecular Weight: 3516.80 g/mol
• Exact Mass: 3517.68
• IUPAC Name: 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one
• SMILES: CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC(C)CC(=O)C=C(O)C(F)(F)F.CC1(C)CCC(C(=O)C=C(O)C(F)(F)F)CC1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1cc(C)c2c(C3CCC(C4CCCCC4)CC3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.Cc1cc(C)c2c(CC3(C)CCCC3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.Cc1cc(C)c2c(CC3(C)CCCC3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.Cc1cc(C)c2c(CC3CCCC3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C37H44N.2C32H36N.C31H34N.C17H32O2.C15H28O2.C12H17F3O2.C8H11F3O2.4Ir/c1-24-19-25(2)36-32(28-17-15-27(16-18-28)26-11-7-6-8-12-26)23-34(38-35(36)20-24)30-21-29-13-9-10-14-31(29)33(22-30)37(3,4)5;2*1-21-15-22(2)30-25(20-32(6)13-9-10-14-32)19-28(33-29(30)16-21)24-17-23-11-7-8-12-26(23)27(18-24)31(3,4)5;1-20-14-21(2)30-25(16-22-10-6-7-11-22)19-28(32-29(30)15-20)24-17-23-12-8-9-13-26(23)27(18-24)31(3,4)5;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-11(2)5-3-8(4-6-11)9(16)7-10(17)12(13,14)15;1-5(2)3-6(12)4-7(13)8(9,10)11;;;;/h9-10,13-14,19-20,22-23,26-28H,6-8,11-12,15-18H2,1-5H3;2*7-8,11-12,15-16,18-19H,9-10,13-14,20H2,1-6H3;8-9,12-15,18-19,22H,6-7,10-11,16H2,1-5H3;9-13,16-18H,1-8H3;11,16H,7-10H2,1-6H3;7-8,17H,3-6H2,1-2H3;4-5,13H,3H2,1-2H3;;;;/q4*-1
• InChIKey: DEZLBZLWKODVRS-UHFFFAOYSA-N
• XLogP: 52.79
• TPSA: 200.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 31
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3516.80
LogP ≤ 5	52.79
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'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one?

The IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one (CID 157288452) is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one.

What is the SMILES notation for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one?

The canonical SMILES for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one is CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC(C)CC(=O)C=C(O)C(F)(F)F.CC1(C)CCC(C(=O)C=C(O)C(F)(F)F)CC1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1cc(C)c2c(C3CCC(C4CCCCC4)CC3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.Cc1cc(C)c2c(CC3(C)CCCC3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.Cc1cc(C)c2c(CC3(C)CCCC3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.Cc1cc(C)c2c(CC3CCCC3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one?

The InChIKey is DEZLBZLWKODVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N.2C32H36N.C31H34N.C17H32O2.C15H28O2.C12H17F3O2.C8H11F3O2.4Ir/c1-24-19-25(2)36-32(28-17-15-27(16-18-28)26-11-7-6-8-12-26)23-34(38-35(36)20-24)30-21-29-13-9-10-14-31(29)33(22-30)37(3,4)5;2*1-21-15-22(2)30-25(20-32(6)13-9-10-14-32)19-28(33-29(30)16-21)24-17-23-11-7-8-12-26(23)27(18-24)31(3,4)5;1-20-14-21(2)30-25(16-22-10-6-7-11-22)19-28(32-29(30)15-20)24-17-23-12-8-9-13-26(23)27(18-24)31(3,4)5;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-11(2)5-3-8(4-6-11)9(16)7-10(17)12(13,14)15;1-5(2)3-6(12)4-7(13)8(9,10)11;;;;/h9-10,13-14,19-20,22-23,26-28H,6-8,11-12,15-18H2,1-5H3;2*7-8,11-12,15-16,18-19H,9-10,13-14,20H2,1-6H3;8-9,12-15,18-19,22H,6-7,10-11,16H2,1-5H3;9-13,16-18H,1-8H3;11,16H,7-10H2,1-6H3;7-8,17H,3-6H2,1-2H3;4-5,13H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one?

2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one has a molecular weight of 3516.80 g/mol, XLogP of 52.79, 31 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-cyclohexylcyclohexyl)-5,7-dimethylquinoline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(cyclopentylmethyl)-5,7-dimethylquinoline;bis(2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-[(1-methylcyclopentyl)methyl]quinoline);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one;6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one is sourced from PubChem (CID 157288452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).