2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine

C120H126Ir5N5O10-5 — CID 159460176

IUPAC2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCCc1ccc2ccc(-c3[c-]c(C)cc(C)c3)nc2c1.Cc1[c-]c(-c2ccc3ccc(CC(C)C)cc3n2)cc(C)c1.Cc1c[c-]c(-c2ccc3ccccc3n2)cc1C.Cc1cc[c-]c(-c2cc(-c3ccccc3)ccn2)c1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)c(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H22N.C20H20N.C19H16N.C18H14N.C17H14N.5C5H8O2.5Ir/c1-14(2)9-17-5-6-18-7-8-20(22-21(18)13-17)19-11-15(3)10-16(4)12-19;1-4-5-16-6-7-17-8-9-19(21-20(17)13-16)18-11-14(2)10-15(3)12-18;1-14-8-9-18(15(2)12-14)17-10-11-20-19(13-17)16-6-4-3-5-7-16;1-14-6-5-9-17(12-14)18-13-16(10-11-19-18)15-7-3-2-4-8-15;1-12-7-8-15(11-13(12)2)17-10-9-14-5-3-4-6-16(14)18-17;5*1-4(6)3-5(2)7;;;;;/h5-8,10-11,13-14H,9H2,1-4H3;6-11,13H,4-5H2,1-3H3;3-6,8-13H,1-2H3;2-8,10-13H,1H3;3-7,9-11H,1-2H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyCLNJMVQAQLLXAG-UHFFFAOYSA-N
MW2759.44 g/mol
LogP29.64
Rot. Bonds16

About 2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine

2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine (PubChem CID 159460176) has the molecular formula C120H126Ir5N5O10-5 and a molecular weight of 2759.44 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine.

Molecular Properties

Compound Name2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine
PubChem CID159460176
Molecular FormulaC120H126Ir5N5O10-5
Molecular Weight2759.44 g/mol
Exact Mass2761.77
IUPAC Name2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCCc1ccc2ccc(-c3[c-]c(C)cc(C)c3)nc2c1.Cc1[c-]c(-c2ccc3ccc(CC(C)C)cc3n2)cc(C)c1.Cc1c[c-]c(-c2ccc3ccccc3n2)cc1C.Cc1cc[c-]c(-c2cc(-c3ccccc3)ccn2)c1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)c(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H22N.C20H20N.C19H16N.C18H14N.C17H14N.5C5H8O2.5Ir/c1-14(2)9-17-5-6-18-7-8-20(22-21(18)13-17)19-11-15(3)10-16(4)12-19;1-4-5-16-6-7-17-8-9-19(21-20(17)13-16)18-11-14(2)10-15(3)12-18;1-14-8-9-18(15(2)12-14)17-10-11-20-19(13-17)16-6-4-3-5-7-16;1-14-6-5-9-17(12-14)18-13-16(10-11-19-18)15-7-3-2-4-8-15;1-12-7-8-15(11-13(12)2)17-10-9-14-5-3-4-6-16(14)18-17;5*1-4(6)3-5(2)7;;;;;/h5-8,10-11,13-14H,9H2,1-4H3;6-11,13H,4-5H2,1-3H3;3-6,8-13H,1-2H3;2-8,10-13H,1H3;3-7,9-11H,1-2H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyCLNJMVQAQLLXAG-UHFFFAOYSA-N
XLogP29.64
TPSA250.95 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002759.44
LogP ≤ 529.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

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)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine with MolForge

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Related Compounds

2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine
CID 160614248
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-(2,4-dimethylbenzene-6-id-1-yl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2-phenylpyridine
CID 161144340
5-(3,5-dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine
CID 161259321
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
2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;bis(4-hydroxypent-3-en-2-one);tris(iridium);2-(3-methylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3-methylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;9-(2-methylpropyl)-2-quinolin-2-yl-3H-carbazol-3-ide;2-(3H-naphthalen-3-id-2-yl)quinoline
CID 162216720
2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162324
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;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)quinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[3-(4-fluorophenyl)benzene-6-id-1-yl]-3,4-dimethylpyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2-phenylpyridine
CID 158273404
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
2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;(Z)-4-hydroxypent-3-en-2-one;lawrencium
CID 168801351

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine?
The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine (CID 159460176) is 2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine.
What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine?
The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCCc1ccc2ccc(-c3[c-]c(C)cc(C)c3)nc2c1.Cc1[c-]c(-c2ccc3ccc(CC(C)C)cc3n2)cc(C)c1.Cc1c[c-]c(-c2ccc3ccccc3n2)cc1C.Cc1cc[c-]c(-c2cc(-c3ccccc3)ccn2)c1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)c(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine?
The InChIKey is CLNJMVQAQLLXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N.C20H20N.C19H16N.C18H14N.C17H14N.5C5H8O2.5Ir/c1-14(2)9-17-5-6-18-7-8-20(22-21(18)13-17)19-11-15(3)10-16(4)12-19;1-4-5-16-6-7-17-8-9-19(21-20(17)13-16)18-11-14(2)10-15(3)12-18;1-14-8-9-18(15(2)12-14)17-10-11-20-19(13-17)16-6-4-3-5-7-16;1-14-6-5-9-17(12-14)18-13-16(10-11-19-18)15-7-3-2-4-8-15;1-12-7-8-15(11-13(12)2)17-10-9-14-5-3-4-6-16(14)18-17;5*1-4(6)3-5(2)7;;;;;/h5-8,10-11,13-14H,9H2,1-4H3;6-11,13H,4-5H2,1-3H3;3-6,8-13H,1-2H3;2-8,10-13H,1H3;3-7,9-11H,1-2H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine?
2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine has a molecular weight of 2759.44 g/mol, XLogP of 29.64, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-propylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine is sourced from PubChem (CID 159460176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).