7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium)

C148H194Ir4N4O8-4 — CID 158315893

About 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium)

7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium) (PubChem CID 158315893) has the molecular formula C148H194Ir4N4O8-4 and a molecular weight of 2926.07 g/mol. Its IUPAC name is 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium).

Molecular Properties

• Compound Name: 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium)
• PubChem CID: 158315893
• Molecular Formula: C148H194Ir4N4O8-4
• Molecular Weight: 2926.07 g/mol
• Exact Mass: 2927.34
• IUPAC Name: 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium)
• SMILES: CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)C(=O)C=C(O)C(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)c1ccc2c(-c3ccccc3)cc(-c3[c-]c(C)cc(C)c3)nc2c1.CCC(C)c1cccc2nc(-c3[c-]c(C)c(C)c(C)c3)c(C)cc12.CCC(C)c1cccc2nc(-c3[c-]c(C)cc(C)c3)ccc12.CCc1[c-]c(-c2cc(C(C)C3CCCCC3)c3ccccc3n2)cc(CC)c1.O=C(C=C(O)C1CCCCC1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C27H26N.C27H32N.C23H26N.C21H22N.C15H24O2.C15H28O2.C11H20O2.C9H16O2.4Ir/c1-5-20(4)22-11-12-24-25(21-9-7-6-8-10-21)17-26(28-27(24)16-22)23-14-18(2)13-19(3)15-23;1-4-20-15-21(5-2)17-23(16-20)27-18-25(19(3)22-11-7-6-8-12-22)24-13-9-10-14-26(24)28-27;1-7-14(2)20-9-8-10-22-21(20)13-17(5)23(24-22)19-11-15(3)18(6)16(4)12-19;1-5-16(4)18-7-6-8-21-19(18)9-10-20(22-21)17-12-14(2)11-15(3)13-17;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-10(2,3)8(12)7-9(13)11(4,5)6;1-6(2)8(10)5-9(11)7(3)4;;;;/h6-14,16-17,20H,5H2,1-4H3;9-10,13-16,18-19,22H,4-8,11-12H2,1-3H3;8-11,13-14H,7H2,1-6H3;6-12,16H,5H2,1-4H3;11-13,16H,1-10H2;11,16H,7-10H2,1-6H3;7,12H,1-6H3;5-7,10H,1-4H3;;;;/q4*-1
• InChIKey: KDVMKHYRHPBALI-UHFFFAOYSA-N
• XLogP: 41.49
• TPSA: 200.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 29
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2926.07
LogP ≤ 5	41.49
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 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium)?

The IUPAC name of 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium) (CID 158315893) is 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium).

What is the SMILES notation for 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium)?

The canonical SMILES for 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium) is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)C(=O)C=C(O)C(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)c1ccc2c(-c3ccccc3)cc(-c3[c-]c(C)cc(C)c3)nc2c1.CCC(C)c1cccc2nc(-c3[c-]c(C)c(C)c(C)c3)c(C)cc12.CCC(C)c1cccc2nc(-c3[c-]c(C)cc(C)c3)ccc12.CCc1[c-]c(-c2cc(C(C)C3CCCCC3)c3ccccc3n2)cc(CC)c1.O=C(C=C(O)C1CCCCC1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium)?

The InChIKey is KDVMKHYRHPBALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N.C27H32N.C23H26N.C21H22N.C15H24O2.C15H28O2.C11H20O2.C9H16O2.4Ir/c1-5-20(4)22-11-12-24-25(21-9-7-6-8-10-21)17-26(28-27(24)16-22)23-14-18(2)13-19(3)15-23;1-4-20-15-21(5-2)17-23(16-20)27-18-25(19(3)22-11-7-6-8-12-22)24-13-9-10-14-26(24)28-27;1-7-14(2)20-9-8-10-22-21(20)13-17(5)23(24-22)19-11-15(3)18(6)16(4)12-19;1-5-16(4)18-7-6-8-21-19(18)9-10-20(22-21)17-12-14(2)11-15(3)13-17;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-10(2,3)8(12)7-9(13)11(4,5)6;1-6(2)8(10)5-9(11)7(3)4;;;;/h6-14,16-17,20H,5H2,1-4H3;9-10,13-16,18-19,22H,4-8,11-12H2,1-3H3;8-11,13-14H,7H2,1-6H3;6-12,16H,5H2,1-4H3;11-13,16H,1-10H2;11,16H,7-10H2,1-6H3;7,12H,1-6H3;5-7,10H,1-4H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium)?

7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium) has a molecular weight of 2926.07 g/mol, XLogP of 41.49, 29 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;5-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-butan-2-yl-3-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-(1-cyclohexylethyl)-2-(3,5-diethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium) is sourced from PubChem (CID 158315893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).