6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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)

C120H150Ir4N4O8-4 — CID 161355238

IUPAC6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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)
SMILESCC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3cc(C4CCCC4)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C22H22N.3C20H20N.C13H24O2.C11H20O2.C9H16O2.C5H8O2.4Ir/c1-15-11-16(2)13-20(12-15)22-10-8-19-14-18(7-9-21(19)23-22)17-5-3-4-6-17;3*1-13(2)17-6-5-7-20-18(17)8-9-19(21-20)16-11-14(3)10-15(4)12-16;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-8(2)5-10(12)7-11(13)6-9(3)4;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h7-12,14,17H,3-6H2,1-2H3;3*5-11,13H,1-4H3;9-11,14H,5-8H2,1-4H3;7-9,12H,5-6H2,1-4H3;5-7,10H,1-4H3;3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyDISRTDMPNNNAMU-UHFFFAOYSA-N
MW2545.41 g/mol
LogP32.60
Rot. Bonds24

About 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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)

6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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) (PubChem CID 161355238) has the molecular formula C120H150Ir4N4O8-4 and a molecular weight of 2545.41 g/mol. Its IUPAC name is 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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).

Molecular Properties

Compound Name6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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)
PubChem CID161355238
Molecular FormulaC120H150Ir4N4O8-4
Molecular Weight2545.41 g/mol
Exact Mass2547.00
IUPAC Name6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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)
SMILESCC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3cc(C4CCCC4)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C22H22N.3C20H20N.C13H24O2.C11H20O2.C9H16O2.C5H8O2.4Ir/c1-15-11-16(2)13-20(12-15)22-10-8-19-14-18(7-9-21(19)23-22)17-5-3-4-6-17;3*1-13(2)17-6-5-7-20-18(17)8-9-19(21-20)16-11-14(3)10-15(4)12-16;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-8(2)5-10(12)7-11(13)6-9(3)4;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h7-12,14,17H,3-6H2,1-2H3;3*5-11,13H,1-4H3;9-11,14H,5-8H2,1-4H3;7-9,12H,5-6H2,1-4H3;5-7,10H,1-4H3;3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyDISRTDMPNNNAMU-UHFFFAOYSA-N
XLogP32.60
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002545.41
LogP ≤ 532.60
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 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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) with MolForge

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Related Compounds

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
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-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
tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-ethylquinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;2,6-dimethylhept-3-ene-3,5-diol;2,8-dimethylnon-4-ene-4,6-diol;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenylpent-2-ene-2,4-diol
CID 162285870
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
3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-methylquinoline;iridium
CID 159492052
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
bis(6-cyclohexyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 155639353
3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4,4,4-trifluoro-3-methylbutyl)quinoline;iridium
CID 159285910
5-(2-adamantyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156655065
5,6-bis(1-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 156655093
4-butan-2-yl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 166026649

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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)?
The IUPAC name of 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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 161355238) is 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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).
What is the SMILES notation for 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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)?
The canonical SMILES for 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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) is CC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3cc(C4CCCC4)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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)?
The InChIKey is DISRTDMPNNNAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N.3C20H20N.C13H24O2.C11H20O2.C9H16O2.C5H8O2.4Ir/c1-15-11-16(2)13-20(12-15)22-10-8-19-14-18(7-9-21(19)23-22)17-5-3-4-6-17;3*1-13(2)17-6-5-7-20-18(17)8-9-19(21-20)16-11-14(3)10-15(4)12-16;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-8(2)5-10(12)7-11(13)6-9(3)4;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h7-12,14,17H,3-6H2,1-2H3;3*5-11,13H,1-4H3;9-11,14H,5-8H2,1-4H3;7-9,12H,5-6H2,1-4H3;5-7,10H,1-4H3;3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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)?
6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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) has a molecular weight of 2545.41 g/mol, XLogP of 32.60, 24 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline);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) is sourced from PubChem (CID 161355238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).