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)

C137H174Ir4N4O8-4 — CID 163864719

IUPAC1,3-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)
SMILESCC(=O)C=C(C)O.CC(C(=O)C1CCCCC1)=C(O)C1CCCCC1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.O=C(C=C(O)C1CCCC1)C1CCCC1.O=C(C=C(O)C1CCCCC1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C22H24N.C16H26O2.C15H24O2.C13H20O2.C5H8O2.4Ir/c4*1-15-11-16(2)13-18(12-15)20-10-9-19-17(14-22(3,4)5)7-6-8-21(19)23-20;1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;14-12(10-5-1-2-6-10)9-13(15)11-7-3-4-8-11;1-4(6)3-5(2)7;;;;/h4*6-12H,14H2,1-5H3;13-14,17H,2-11H2,1H3;11-13,16H,1-10H2;9-11,14H,1-8H2;3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyDGAOYIGRWJLWFP-UHFFFAOYSA-N
MW2773.79 g/mol
LogP36.74
Rot. Bonds18

About 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)

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) (PubChem CID 163864719) has the molecular formula C137H174Ir4N4O8-4 and a molecular weight of 2773.79 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1,3-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)
PubChem CID163864719
Molecular FormulaC137H174Ir4N4O8-4
Molecular Weight2773.79 g/mol
Exact Mass2775.19
IUPAC Name1,3-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)
SMILESCC(=O)C=C(C)O.CC(C(=O)C1CCCCC1)=C(O)C1CCCCC1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.O=C(C=C(O)C1CCCC1)C1CCCC1.O=C(C=C(O)C1CCCCC1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C22H24N.C16H26O2.C15H24O2.C13H20O2.C5H8O2.4Ir/c4*1-15-11-16(2)13-18(12-15)20-10-9-19-17(14-22(3,4)5)7-6-8-21(19)23-20;1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;14-12(10-5-1-2-6-10)9-13(15)11-7-3-4-8-11;1-4(6)3-5(2)7;;;;/h4*6-12H,14H2,1-5H3;13-14,17H,2-11H2,1H3;11-13,16H,1-10H2;9-11,14H,1-8H2;3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyDGAOYIGRWJLWFP-UHFFFAOYSA-N
XLogP36.74
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002773.79
LogP ≤ 536.74
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 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) with MolForge

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Related Compounds

(Z)-1,3-dicyclopentyl-3-hydroxyprop-2-en-1-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-propylquinoline;iridium
CID 154591164
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
7-tert-butyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;iridium;methane
CID 159707798
2-(3,5-dimethylbenzene-6-id-1-yl)-5-methylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162314
7-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one);tris(2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2,2-dimethylpropyl)quinoline);5-hydroxy-2,6-dimethylhept-4-en-3-one;6-hydroxy-2,8-dimethylnon-5-en-4-one;tetrakis(iridium)
CID 158001291
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)-5-ethylquinoline;4-hydroxypentan-2-one;iridium
CID 154623395
2-(3,5-dimethylbenzene-6-id-1-yl)-4,5-dimethylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59348531
(Z)-1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-isocyanobenzo[f]isoquinoline;iridium
CID 171576474
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
5-(3,5-dimethylbenzene-6-id-1-yl)-2-phenylthieno[3,2-b]pyridine;4-hydroxypent-3-en-2-one;iridium
CID 159166986

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(=O)C=C(C)O.CC(C(=O)C1CCCCC1)=C(O)C1CCCCC1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)cc(C)c1.O=C(C=C(O)C1CCCC1)C1CCCC1.O=C(C=C(O)C1CCCCC1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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)?
The InChIKey is DGAOYIGRWJLWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H24N.C16H26O2.C15H24O2.C13H20O2.C5H8O2.4Ir/c4*1-15-11-16(2)13-18(12-15)20-10-9-19-17(14-22(3,4)5)7-6-8-21(19)23-20;1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;14-12(10-5-1-2-6-10)9-13(15)11-7-3-4-8-11;1-4(6)3-5(2)7;;;;/h4*6-12H,14H2,1-5H3;13-14,17H,2-11H2,1H3;11-13,16H,1-10H2;9-11,14H,1-8H2;3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2773.79 g/mol, XLogP of 36.74, 18 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 163864719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).