bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine

C153H166Ir5N7O6-7 — CID 159297247

About bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine

bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine (PubChem CID 159297247) has the molecular formula C153H166Ir5N7O6-7 and a molecular weight of 3160.14 g/mol. Its IUPAC name is bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine.

Molecular Properties

• Compound Name: bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine
• PubChem CID: 159297247
• Molecular Formula: C153H166Ir5N7O6-7
• Molecular Weight: 3160.14 g/mol
• Exact Mass: 3162.11
• IUPAC Name: bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine
• SMILES: CC(=O)C(C)=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1ccc(-c2[c-]cccc2)nc1.CCc1ccc(-c2[c-]cccc2)nc1.Cc1[c-]c(-c2cc(CC(C)C)c3cc(C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3ccccc3n2)cc(C)c1.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C22H24N.C21H22N.2C21H20N.C19H16N.C14H14N.C13H12N.C11H20O2.C6H10O2.C5H8O2.5Ir/c1-14(2)8-18-13-22(19-10-16(4)9-17(5)11-19)23-21-7-6-15(3)12-20(18)21;1-14(2)9-17-13-21(18-11-15(3)10-16(4)12-18)22-20-8-6-5-7-19(17)20;2*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-11-8-9-13(14-10-11)12-6-4-3-5-7-12;1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(5(2)7)6(3)8;1-4(6)3-5(2)7;;;;;/h6-7,9-10,12-14H,8H2,1-5H3;5-8,10-11,13-14H,9H2,1-4H3;2*4-10,12-15H,1-3H3;3-6,8-13H,1-2H3;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;7-9,12H,5-6H2,1-4H3;7H,1-3H3;3,6H,1-2H3;;;;;/q7*-1
• InChIKey: CZBOAVYRITUBKR-UHFFFAOYSA-N
• XLogP: 39.53
• TPSA: 202.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3160.14
LogP ≤ 5	39.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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 bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine?

The IUPAC name of bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine (CID 159297247) is bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine.

What is the SMILES notation for bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine?

The canonical SMILES for bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine is CC(=O)C(C)=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1ccc(-c2[c-]cccc2)nc1.CCc1ccc(-c2[c-]cccc2)nc1.Cc1[c-]c(-c2cc(CC(C)C)c3cc(C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3ccccc3n2)cc(C)c1.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine?

The InChIKey is CZBOAVYRITUBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N.C21H22N.2C21H20N.C19H16N.C14H14N.C13H12N.C11H20O2.C6H10O2.C5H8O2.5Ir/c1-14(2)8-18-13-22(19-10-16(4)9-17(5)11-19)23-21-7-6-15(3)12-20(18)21;1-14(2)9-17-13-21(18-11-15(3)10-16(4)12-18)22-20-8-6-5-7-19(17)20;2*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-11-8-9-13(14-10-11)12-6-4-3-5-7-12;1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(5(2)7)6(3)8;1-4(6)3-5(2)7;;;;;/h6-7,9-10,12-14H,8H2,1-5H3;5-8,10-11,13-14H,9H2,1-4H3;2*4-10,12-15H,1-3H3;3-6,8-13H,1-2H3;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;7-9,12H,5-6H2,1-4H3;7H,1-3H3;3,6H,1-2H3;;;;;/q7*-1;;;;;;;;.

What are the key properties of bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine?

bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine has a molecular weight of 3160.14 g/mol, XLogP of 39.53, 23 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;pentakis(iridium);2-phenyl-5-propan-2-ylpyridine is sourced from PubChem (CID 159297247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).