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)

C135H174Ir4N4O8-4 — CID 161049308

IUPAC5-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)
SMILESCC(=O)C=C(C)O.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ccc3c(C4CCCC4)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(-c2ccc3ccc(C4CCCC4)cc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H24N.3C22H22N.2C14H26O2.C13H24O2.C5H8O2.4Ir/c1-16-13-17(2)15-19(14-16)22-12-11-21-20(9-6-10-23(21)24-22)18-7-4-3-5-8-18;2*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;1-15-11-16(2)13-20(12-15)21-10-9-18-7-8-19(14-22(18)23-21)17-5-3-4-6-17;2*1-6-11(7-2)13(15)10(5)14(16)12(8-3)9-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-4(6)3-5(2)7;;;;/h6,9-14,18H,3-5,7-8H2,1-2H3;2*5,8-13,17H,3-4,6-7H2,1-2H3;7-12,14,17H,3-6H2,1-2H3;2*11-12,15H,6-9H2,1-5H3;9-11,14H,5-8H2,1-4H3;3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyYOZVVHYURAMBQC-UHFFFAOYSA-N
MW2749.76 g/mol
LogP37.71
Rot. Bonds30

About 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)

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) (PubChem CID 161049308) has the molecular formula C135H174Ir4N4O8-4 and a molecular weight of 2749.76 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name5-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)
PubChem CID161049308
Molecular FormulaC135H174Ir4N4O8-4
Molecular Weight2749.76 g/mol
Exact Mass2751.19
IUPAC Name5-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)
SMILESCC(=O)C=C(C)O.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ccc3c(C4CCCC4)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(-c2ccc3ccc(C4CCCC4)cc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H24N.3C22H22N.2C14H26O2.C13H24O2.C5H8O2.4Ir/c1-16-13-17(2)15-19(14-16)22-12-11-21-20(9-6-10-23(21)24-22)18-7-4-3-5-8-18;2*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;1-15-11-16(2)13-20(12-15)21-10-9-18-7-8-19(14-22(18)23-21)17-5-3-4-6-17;2*1-6-11(7-2)13(15)10(5)14(16)12(8-3)9-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-4(6)3-5(2)7;;;;/h6,9-14,18H,3-5,7-8H2,1-2H3;2*5,8-13,17H,3-4,6-7H2,1-2H3;7-12,14,17H,3-6H2,1-2H3;2*11-12,15H,6-9H2,1-5H3;9-11,14H,5-8H2,1-4H3;3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyYOZVVHYURAMBQC-UHFFFAOYSA-N
XLogP37.71
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002749.76
LogP ≤ 537.71
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-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) with MolForge

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Related Compounds

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
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
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
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
3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-methylquinoline;iridium
CID 159492052
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
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;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-(1-adamantyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156655209
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
2-(3,5-dimethylbenzene-6-id-1-yl)-5-methylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162314
7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)
CID 161063099

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(=O)C=C(C)O.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ccc3c(C4CCCC4)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(-c2ccc3ccc(C4CCCC4)cc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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)?
The InChIKey is YOZVVHYURAMBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N.3C22H22N.2C14H26O2.C13H24O2.C5H8O2.4Ir/c1-16-13-17(2)15-19(14-16)22-12-11-21-20(9-6-10-23(21)24-22)18-7-4-3-5-8-18;2*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;1-15-11-16(2)13-20(12-15)21-10-9-18-7-8-19(14-22(18)23-21)17-5-3-4-6-17;2*1-6-11(7-2)13(15)10(5)14(16)12(8-3)9-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-4(6)3-5(2)7;;;;/h6,9-14,18H,3-5,7-8H2,1-2H3;2*5,8-13,17H,3-4,6-7H2,1-2H3;7-12,14,17H,3-6H2,1-2H3;2*11-12,15H,6-9H2,1-5H3;9-11,14H,5-8H2,1-4H3;3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2749.76 g/mol, XLogP of 37.71, 30 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 161049308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).