5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)

C110H124Ir4N4O8-4 — CID 158485270

IUPAC5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
SMILESCC(=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(-c2ccc3c(C4CCC4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C4CCCC4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C4CCCCC4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C4CCCCCC4)cccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H26N.C23H24N.C22H22N.C21H20N.4C5H8O2.4Ir/c1-17-14-18(2)16-20(15-17)23-13-12-22-21(10-7-11-24(22)25-23)19-8-5-3-4-6-9-19;1-16-13-17(2)15-19(14-16)22-12-11-21-20(9-6-10-23(21)24-22)18-7-4-3-5-8-18;1-15-12-16(2)14-18(13-15)21-11-10-20-19(17-6-3-4-7-17)8-5-9-22(20)23-21;1-14-11-15(2)13-17(12-14)20-10-9-19-18(16-5-3-6-16)7-4-8-21(19)22-20;4*1-4(6)3-5(2)7;;;;/h7,10-15,19H,3-6,8-9H2,1-2H3;6,9-14,18H,3-5,7-8H2,1-2H3;5,8-13,17H,3-4,6-7H2,1-2H3;4,7-12,16H,3,5-6H2,1-2H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyMPWIHOPJSMDFBR-UHFFFAOYSA-N
MW2399.09 g/mol
LogP28.82
Rot. Bonds12

About 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)

5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) (PubChem CID 158485270) has the molecular formula C110H124Ir4N4O8-4 and a molecular weight of 2399.09 g/mol. Its IUPAC name is 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium).

Molecular Properties

Compound Name5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
PubChem CID158485270
Molecular FormulaC110H124Ir4N4O8-4
Molecular Weight2399.09 g/mol
Exact Mass2400.80
IUPAC Name5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
SMILESCC(=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(-c2ccc3c(C4CCC4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C4CCCC4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C4CCCCC4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C4CCCCCC4)cccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H26N.C23H24N.C22H22N.C21H20N.4C5H8O2.4Ir/c1-17-14-18(2)16-20(15-17)23-13-12-22-21(10-7-11-24(22)25-23)19-8-5-3-4-6-9-19;1-16-13-17(2)15-19(14-16)22-12-11-21-20(9-6-10-23(21)24-22)18-7-4-3-5-8-18;1-15-12-16(2)14-18(13-15)21-11-10-20-19(17-6-3-4-7-17)8-5-9-22(20)23-21;1-14-11-15(2)13-17(12-14)20-10-9-19-18(16-5-3-6-16)7-4-8-21(19)22-20;4*1-4(6)3-5(2)7;;;;/h7,10-15,19H,3-6,8-9H2,1-2H3;6,9-14,18H,3-5,7-8H2,1-2H3;5,8-13,17H,3-4,6-7H2,1-2H3;4,7-12,16H,3,5-6H2,1-2H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyMPWIHOPJSMDFBR-UHFFFAOYSA-N
XLogP28.82
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002399.09
LogP ≤ 528.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) with MolForge

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Related Compounds

2-(3,5-dimethylbenzene-6-id-1-yl)-5-methylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162314
5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);7-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium)
CID 161049308
2-(3,5-dimethylbenzene-6-id-1-yl)-6-methylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162348
2-(3,5-dimethylbenzene-6-id-1-yl)-4,5-dimethylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59348531
1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;1,3-dicyclopentyl-3-hydroxyprop-2-en-1-one;tetrakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)quinoline);4-hydroxypent-3-en-2-one;tetrakis(iridium)
CID 163864719
5-(3,5-dimethylbenzene-6-id-1-yl)-2-phenylthieno[3,2-b]pyridine;4-hydroxypent-3-en-2-one;iridium
CID 159166986
(Z)-1,3-dicyclopentyl-3-hydroxyprop-2-en-1-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-propylquinoline;iridium
CID 154591164
2-(3,5-dimethylbenzene-6-id-1-yl)-3,5-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-3,6-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-3,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium)
CID 158797157
6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium)
CID 159827105
2-(3,5-dimethylbenzene-6-id-1-yl)-5-methylquinoline;8-hydroxy-3,4,4a,5,6,7-hexahydro-2H-naphthalen-1-one;iridium
CID 170527246
2-[3,5-bis(trideuteriomethyl)benzene-6-id-1-yl]-7-methylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59546979
5-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156654958

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
The IUPAC name of 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) (CID 158485270) is 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium).
What is the SMILES notation for 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
The canonical SMILES for 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) 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.Cc1[c-]c(-c2ccc3c(C4CCC4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C4CCCC4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C4CCCCC4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C4CCCCCC4)cccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
The InChIKey is MPWIHOPJSMDFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N.C23H24N.C22H22N.C21H20N.4C5H8O2.4Ir/c1-17-14-18(2)16-20(15-17)23-13-12-22-21(10-7-11-24(22)25-23)19-8-5-3-4-6-9-19;1-16-13-17(2)15-19(14-16)22-12-11-21-20(9-6-10-23(21)24-22)18-7-4-3-5-8-18;1-15-12-16(2)14-18(13-15)21-11-10-20-19(17-6-3-4-7-17)8-5-9-22(20)23-21;1-14-11-15(2)13-17(12-14)20-10-9-19-18(16-5-3-6-16)7-4-8-21(19)22-20;4*1-4(6)3-5(2)7;;;;/h7,10-15,19H,3-6,8-9H2,1-2H3;6,9-14,18H,3-5,7-8H2,1-2H3;5,8-13,17H,3-4,6-7H2,1-2H3;4,7-12,16H,3,5-6H2,1-2H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) has a molecular weight of 2399.09 g/mol, XLogP of 28.82, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) is sourced from PubChem (CID 158485270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).