2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine

C132H140Ir4N6O4-6 — CID 159042752

IUPAC2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1[c-]c(-c2cc(CC(C)C)c3cc(-c4ccc(C)cc4)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3ccccc3n2)cc(C)c1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C28H28N.C21H22N.C21H20N.C17H12N.C12H10N.C11H8N.2C11H20O2.4Ir/c1-18(2)12-24-17-28(25-14-20(4)13-21(5)15-25)29-27-11-10-23(16-26(24)27)22-8-6-19(3)7-9-22;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;1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-8(2)5-10(12)7-11(13)6-9(3)4;;;;/h6-11,13-14,16-18H,12H2,1-5H3;5-8,10-11,13-14H,9H2,1-4H3;3-6,8-13,15-16H,14H2,1-2H3;1-9,11-13H;2-5,7-9H,1H3;1-6,8-9H;7,12H,1-6H3;7-9,12H,5-6H2,1-4H3;;;;/q6*-1;;;;;;
InChIKeyBBJQXKQIQOWZJF-UHFFFAOYSA-N
MW2643.48 g/mol
LogP34.22
Rot. Bonds21

About 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine

2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine (PubChem CID 159042752) has the molecular formula C132H140Ir4N6O4-6 and a molecular weight of 2643.48 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine.

Molecular Properties

Compound Name2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine
PubChem CID159042752
Molecular FormulaC132H140Ir4N6O4-6
Molecular Weight2643.48 g/mol
Exact Mass2644.95
IUPAC Name2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1[c-]c(-c2cc(CC(C)C)c3cc(-c4ccc(C)cc4)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3ccccc3n2)cc(C)c1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C28H28N.C21H22N.C21H20N.C17H12N.C12H10N.C11H8N.2C11H20O2.4Ir/c1-18(2)12-24-17-28(25-14-20(4)13-21(5)15-25)29-27-11-10-23(16-26(24)27)22-8-6-19(3)7-9-22;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;1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-8(2)5-10(12)7-11(13)6-9(3)4;;;;/h6-11,13-14,16-18H,12H2,1-5H3;5-8,10-11,13-14H,9H2,1-4H3;3-6,8-13,15-16H,14H2,1-2H3;1-9,11-13H;2-5,7-9H,1H3;1-6,8-9H;7,12H,1-6H3;7-9,12H,5-6H2,1-4H3;;;;/q6*-1;;;;;;
InChIKeyBBJQXKQIQOWZJF-UHFFFAOYSA-N
XLogP34.22
TPSA151.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002643.48
LogP ≤ 534.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

Analyze 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine with MolForge

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Related Compounds

2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine
CID 158091446
tris(2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline);6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-phenyl-2-phenylpyridine;2-phenylpyridine
CID 157492358
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine
CID 159459244
tris(2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 163976504
5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-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)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine)
CID 158100102
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
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;4-hydroxy-3-phenylpent-3-en-2-one;tetrakis(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);4-methyl-2-phenylpyridine;4-phenyl-2-phenylpyridine;bis(2-phenylpyridine)
CID 161188747
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);tris(2-(2-methylbenzene-6-id-1-yl)pyridine);bis(4-methyl-5-phenyl-2-phenylpyridine);4-methyl-2-phenylpyridine
CID 158805722
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-(3-methylbenzene-6-id-1-yl)pyridine;5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);4-hydroxy-3-phenylpent-3-en-2-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)
CID 161072573
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;4-(4-fluorophenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline;5-(4-fluorophenyl)-2-phenylquinoline;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium)
CID 160744997
2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 155627665
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;6-fluoro-4-(2-methylpropyl)-2-phenylquinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);6-methyl-2-(3-methylbenzene-6-id-1-yl)-4-(4-methylphenyl)quinoline;6-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(4-methylphenyl)quinoline
CID 158331007

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine?
The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine (CID 159042752) is 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine.
What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine?
The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1[c-]c(-c2cc(CC(C)C)c3cc(-c4ccc(C)cc4)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3ccccc3n2)cc(C)c1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine?
The InChIKey is BBJQXKQIQOWZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N.C21H22N.C21H20N.C17H12N.C12H10N.C11H8N.2C11H20O2.4Ir/c1-18(2)12-24-17-28(25-14-20(4)13-21(5)15-25)29-27-11-10-23(16-26(24)27)22-8-6-19(3)7-9-22;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;1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-8(2)5-10(12)7-11(13)6-9(3)4;;;;/h6-11,13-14,16-18H,12H2,1-5H3;5-8,10-11,13-14H,9H2,1-4H3;3-6,8-13,15-16H,14H2,1-2H3;1-9,11-13H;2-5,7-9H,1H3;1-6,8-9H;7,12H,1-6H3;7-9,12H,5-6H2,1-4H3;;;;/q6*-1;;;;;;.
What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine?
2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine has a molecular weight of 2643.48 g/mol, XLogP of 34.22, 21 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine is sourced from PubChem (CID 159042752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).