2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline

C119H128Ir5N5O10-5 — CID 158177125

IUPAC2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline
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.Cc1[c-]c(-c2cc(C)c3ccccc3n2)c(C)c(C)c1.Cc1[c-]c(-c2cc(C)c3ccccc3n2)c(C)cc1C.Cc1[c-]c(-c2cc(C)c3ccccc3n2)cc(C)c1C.Cc1[c-]c(-c2cc(C)c3ccccc3n2)ccc1C.Cc1c[c-]c(-c2cc(C)c3ccccc3n2)c(C)c1C.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C19H18N.C18H16N.5C5H8O2.5Ir/c1-12-9-16(10-13(2)15(12)4)19-11-14(3)17-7-5-6-8-18(17)20-19;1-12-9-14(3)17(10-13(12)2)19-11-15(4)16-7-5-6-8-18(16)20-19;1-12-9-13(2)15(4)17(10-12)19-11-14(3)16-7-5-6-8-18(16)20-19;1-12-9-10-17(15(4)14(12)3)19-11-13(2)16-7-5-6-8-18(16)20-19;1-12-8-9-15(10-13(12)2)18-11-14(3)16-6-4-5-7-17(16)19-18;5*1-4(6)3-5(2)7;;;;;/h4*5-9,11H,1-4H3;4-9,11H,1-3H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyQDMKQEJBGAOEFJ-UHFFFAOYSA-N
MW2749.44 g/mol
LogP29.54
Rot. Bonds10

About 2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline

2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline (PubChem CID 158177125) has the molecular formula C119H128Ir5N5O10-5 and a molecular weight of 2749.44 g/mol. Its IUPAC name is 2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline.

Molecular Properties

Compound Name2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline
PubChem CID158177125
Molecular FormulaC119H128Ir5N5O10-5
Molecular Weight2749.44 g/mol
Exact Mass2751.78
IUPAC Name2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline
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.Cc1[c-]c(-c2cc(C)c3ccccc3n2)c(C)c(C)c1.Cc1[c-]c(-c2cc(C)c3ccccc3n2)c(C)cc1C.Cc1[c-]c(-c2cc(C)c3ccccc3n2)cc(C)c1C.Cc1[c-]c(-c2cc(C)c3ccccc3n2)ccc1C.Cc1c[c-]c(-c2cc(C)c3ccccc3n2)c(C)c1C.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C19H18N.C18H16N.5C5H8O2.5Ir/c1-12-9-16(10-13(2)15(12)4)19-11-14(3)17-7-5-6-8-18(17)20-19;1-12-9-14(3)17(10-13(12)2)19-11-15(4)16-7-5-6-8-18(16)20-19;1-12-9-13(2)15(4)17(10-12)19-11-14(3)16-7-5-6-8-18(16)20-19;1-12-9-10-17(15(4)14(12)3)19-11-13(2)16-7-5-6-8-18(16)20-19;1-12-8-9-15(10-13(12)2)18-11-14(3)16-6-4-5-7-17(16)19-18;5*1-4(6)3-5(2)7;;;;;/h4*5-9,11H,1-4H3;4-9,11H,1-3H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyQDMKQEJBGAOEFJ-UHFFFAOYSA-N
XLogP29.54
TPSA250.95 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002749.44
LogP ≤ 529.54
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-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline with MolForge

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Related Compounds

2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium)
CID 158450847
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline
CID 59348490
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline
CID 59348507
2-(3,4-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58871347
2-(3,5-dimethylbenzene-6-id-1-yl)-4,5-dimethylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59348531
bis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);6-methyl-2-(2-methylbenzene-6-id-1-yl)quinoline;6-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;6-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;6-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline
CID 161214040
2-(3,5-dimethylbenzene-6-id-1-yl)-5-methylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162314
2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162324
2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 158512830
2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;(Z)-4-hydroxypent-3-en-2-one;lawrencium
CID 168801351
2-(2,3-dimethylbenzene-6-id-1-yl)quinoline;2-(2,4-dimethylbenzene-6-id-1-yl)quinoline;2-(2,5-dimethylbenzene-6-id-1-yl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);methane;2-phenylpyridine
CID 160931630
(Z)-4-hydroxypent-3-en-2-one;iridium;6-methoxy-2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)quinoline
CID 58871183

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline?
The IUPAC name of 2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline (CID 158177125) is 2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline.
What is the SMILES notation for 2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline?
The canonical SMILES for 2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline 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.Cc1[c-]c(-c2cc(C)c3ccccc3n2)c(C)c(C)c1.Cc1[c-]c(-c2cc(C)c3ccccc3n2)c(C)cc1C.Cc1[c-]c(-c2cc(C)c3ccccc3n2)cc(C)c1C.Cc1[c-]c(-c2cc(C)c3ccccc3n2)ccc1C.Cc1c[c-]c(-c2cc(C)c3ccccc3n2)c(C)c1C.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline?
The InChIKey is QDMKQEJBGAOEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H18N.C18H16N.5C5H8O2.5Ir/c1-12-9-16(10-13(2)15(12)4)19-11-14(3)17-7-5-6-8-18(17)20-19;1-12-9-14(3)17(10-13(12)2)19-11-15(4)16-7-5-6-8-18(16)20-19;1-12-9-13(2)15(4)17(10-12)19-11-14(3)16-7-5-6-8-18(16)20-19;1-12-9-10-17(15(4)14(12)3)19-11-13(2)16-7-5-6-8-18(16)20-19;1-12-8-9-15(10-13(12)2)18-11-14(3)16-6-4-5-7-17(16)19-18;5*1-4(6)3-5(2)7;;;;;/h4*5-9,11H,1-4H3;4-9,11H,1-3H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline?
2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline has a molecular weight of 2749.44 g/mol, XLogP of 29.54, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylbenzene-2-id-1-yl)-4-methylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,3,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;4-methyl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline is sourced from PubChem (CID 158177125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).