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

C141H141Ir3N7O6-6 — CID 162216720

IUPAC2-(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
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.CC(C)Cn1c2ccccc2c2c[c-]c(-c3ccc4ccccc4n3)cc21.Cc1[c-]c(-c2ccc3ccc(CC(C)C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc[c-]c(-c2ccc3c(CC(C)C)cccc3n2)c1.Cc1cc[c-]c(-c2ccc3ccc(CC(C)C)cc3n2)c1.[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1ccc2ccccc2n1
InChIInChI=1S/C25H21N2.C21H22N.2C20H20N.C19H12N.C17H14N.C9H16O2.2C5H8O2.3Ir/c1-17(2)16-27-24-10-6-4-8-20(24)21-13-11-19(15-25(21)27)23-14-12-18-7-3-5-9-22(18)26-23;1-14(2)9-17-5-6-18-7-8-20(22-21(18)13-17)19-11-15(3)10-16(4)12-19;1-14(2)12-16-7-5-9-20-18(16)10-11-19(21-20)17-8-4-6-15(3)13-17;1-14(2)11-16-7-8-17-9-10-19(21-20(17)13-16)18-6-4-5-15(3)12-18;1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-6(2)8(10)5-9(11)7(3)4;2*1-4(6)3-5(2)7;;;/h3-10,12-15,17H,16H2,1-2H3;5-8,10-11,13-14H,9H2,1-4H3;4-7,9-11,13-14H,12H2,1-3H3;4-5,7-10,12-14H,11H2,1-3H3;1-9,11-13H;3-10H,1-2H3;5-7,10H,1-4H3;2*3,6H,1-2H3;;;/q6*-1;;;;;;
InChIKeyBXSKHBHWMLNURG-UHFFFAOYSA-N
MW2606.37 g/mol
LogP35.95
Rot. Bonds19

About 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

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 (PubChem CID 162216720) has the molecular formula C141H141Ir3N7O6-6 and a molecular weight of 2606.37 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)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.

Molecular Properties

Compound Name2-(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
PubChem CID162216720
Molecular FormulaC141H141Ir3N7O6-6
Molecular Weight2606.37 g/mol
Exact Mass2606.99
IUPAC Name2-(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
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.CC(C)Cn1c2ccccc2c2c[c-]c(-c3ccc4ccccc4n3)cc21.Cc1[c-]c(-c2ccc3ccc(CC(C)C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc[c-]c(-c2ccc3c(CC(C)C)cccc3n2)c1.Cc1cc[c-]c(-c2ccc3ccc(CC(C)C)cc3n2)c1.[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1ccc2ccccc2n1
InChIInChI=1S/C25H21N2.C21H22N.2C20H20N.C19H12N.C17H14N.C9H16O2.2C5H8O2.3Ir/c1-17(2)16-27-24-10-6-4-8-20(24)21-13-11-19(15-25(21)27)23-14-12-18-7-3-5-9-22(18)26-23;1-14(2)9-17-5-6-18-7-8-20(22-21(18)13-17)19-11-15(3)10-16(4)12-19;1-14(2)12-16-7-5-9-20-18(16)10-11-19(21-20)17-8-4-6-15(3)13-17;1-14(2)11-16-7-8-17-9-10-19(21-20(17)13-16)18-6-4-5-15(3)12-18;1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-6(2)8(10)5-9(11)7(3)4;2*1-4(6)3-5(2)7;;;/h3-10,12-15,17H,16H2,1-2H3;5-8,10-11,13-14H,9H2,1-4H3;4-7,9-11,13-14H,12H2,1-3H3;4-5,7-10,12-14H,11H2,1-3H3;1-9,11-13H;3-10H,1-2H3;5-7,10H,1-4H3;2*3,6H,1-2H3;;;/q6*-1;;;;;;
InChIKeyBXSKHBHWMLNURG-UHFFFAOYSA-N
XLogP35.95
TPSA194.17 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002606.37
LogP ≤ 535.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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)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 with MolForge

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Related Compounds

3,7-diethyl-6-hydroxynon-5-en-4-one;tetrakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);5-hydroxy-2,6-dimethylhept-4-en-3-one;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium)
CID 159893845
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
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-hydroxypent-3-en-2-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);bis(2-(2-methylbenzene-6-id-1-yl)pyridine)
CID 160696340
2-(3,5-dimethylbenzene-6-id-1-yl)-1-methanidyl-5-(2-methylpropyl)naphthalene;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 168739600
2-(3,5-dimethylbenzene-6-id-1-yl)-5-methylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162314
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
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)-6-methylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162348
3-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;tris(iridium);bis(3-phenylbenzo[f]quinazoline);2-phenylbenzo[h]quinazoline
CID 162238696
(Z)-4-hydroxypent-3-en-2-one;iridium;bis(9-[2-(2-methoxyethoxy)ethyl]-3-quinolin-2-yl-2H-carbazol-2-ide)
CID 139253815
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;diphenylphosphorylbenzene;iridium
CID 164702240
2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)benzotriazole
CID 161296373

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)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?
The IUPAC name of 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) is 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.
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)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?
The canonical SMILES for 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 is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.CC(C)Cn1c2ccccc2c2c[c-]c(-c3ccc4ccccc4n3)cc21.Cc1[c-]c(-c2ccc3ccc(CC(C)C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc[c-]c(-c2ccc3c(CC(C)C)cccc3n2)c1.Cc1cc[c-]c(-c2ccc3ccc(CC(C)C)cc3n2)c1.[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1ccc2ccccc2n1.
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)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?
The InChIKey is BXSKHBHWMLNURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N2.C21H22N.2C20H20N.C19H12N.C17H14N.C9H16O2.2C5H8O2.3Ir/c1-17(2)16-27-24-10-6-4-8-20(24)21-13-11-19(15-25(21)27)23-14-12-18-7-3-5-9-22(18)26-23;1-14(2)9-17-5-6-18-7-8-20(22-21(18)13-17)19-11-15(3)10-16(4)12-19;1-14(2)12-16-7-5-9-20-18(16)10-11-19(21-20)17-8-4-6-15(3)13-17;1-14(2)11-16-7-8-17-9-10-19(21-20(17)13-16)18-6-4-5-15(3)12-18;1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-6(2)8(10)5-9(11)7(3)4;2*1-4(6)3-5(2)7;;;/h3-10,12-15,17H,16H2,1-2H3;5-8,10-11,13-14H,9H2,1-4H3;4-7,9-11,13-14H,12H2,1-3H3;4-5,7-10,12-14H,11H2,1-3H3;1-9,11-13H;3-10H,1-2H3;5-7,10H,1-4H3;2*3,6H,1-2H3;;;/q6*-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)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?
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 has a molecular weight of 2606.37 g/mol, XLogP of 35.95, 19 rotatable bonds, 3 hydrogen bond donors, and 13 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)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 is sourced from PubChem (CID 162216720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).