tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium)

C131H177Ir4N7O8-4 — CID 159305213

IUPACtetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium)
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ncc3ccc(CC(C)C)cc3n2)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3ccc(C(C)C)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C20H21N2.C20H20N.C19H19N2.4C13H24O2.4Ir/c1-13(2)7-16-5-6-17-12-21-20(22-19(17)11-16)18-9-14(3)8-15(4)10-18;1-13(2)8-16-6-5-7-19-18(16)12-21-20(22-19)17-10-14(3)9-15(4)11-17;1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;1-12(2)15-5-6-18-17(10-15)19(21-11-20-18)16-8-13(3)7-14(4)9-16;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-6,8-9,11-13H,7H2,1-4H3;5-7,9-10,12-13H,8H2,1-4H3;5-10,12-13H,1-4H3;5-8,10-12H,1-4H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyAGPFRHXFFZOUFA-UHFFFAOYSA-N
MW2746.77 g/mol
LogP35.57
Rot. Bonds38

About tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium)

tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium) (PubChem CID 159305213) has the molecular formula C131H177Ir4N7O8-4 and a molecular weight of 2746.77 g/mol. Its IUPAC name is tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium).

Molecular Properties

Compound Nametetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium)
PubChem CID159305213
Molecular FormulaC131H177Ir4N7O8-4
Molecular Weight2746.77 g/mol
Exact Mass2748.22
IUPAC Nametetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium)
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ncc3ccc(CC(C)C)cc3n2)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3ccc(C(C)C)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C20H21N2.C20H20N.C19H19N2.4C13H24O2.4Ir/c1-13(2)7-16-5-6-17-12-21-20(22-19(17)11-16)18-9-14(3)8-15(4)10-18;1-13(2)8-16-6-5-7-19-18(16)12-21-20(22-19)17-10-14(3)9-15(4)11-17;1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;1-12(2)15-5-6-18-17(10-15)19(21-11-20-18)16-8-13(3)7-14(4)9-16;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-6,8-9,11-13H,7H2,1-4H3;5-7,9-10,12-13H,8H2,1-4H3;5-10,12-13H,1-4H3;5-8,10-12H,1-4H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyAGPFRHXFFZOUFA-UHFFFAOYSA-N
XLogP35.57
TPSA239.43 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds38
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002746.77
LogP ≤ 535.57
H-Bond Donors ≤ 54
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 tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium) with MolForge

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Related Compounds

3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;iridium
CID 155638827
1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline;(Z)-7-ethyl-6-hydroxy-3-methylnon-5-en-4-one;iridium
CID 153438254
1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium
CID 153438234
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
3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;iridium
CID 155639383
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);iridium
CID 155638334
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;[3-methyl-5-(6-propan-2-ylisoquinolin-1-yl)benzene-4-id-1-yl]-diphenylbismuthane
CID 164733499
(Z)-3,7-diethyl-6-hydroxy-3-methylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;iridium
CID 153455561
6-(1-adamantyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;iridium
CID 155639038
3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;iridium
CID 155639302
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;5-fluoro-1-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-(2-methylpropyl)isoquinoline;iridium
CID 171430139
1-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)isoquinoline;(Z)-6-hydroxy-3,7,8-trimethylnon-5-en-4-one;iridium
CID 177119847

Frequently Asked Questions

What is the IUPAC name of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium)?
The IUPAC name of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium) (CID 159305213) is tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium).
What is the SMILES notation for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium)?
The canonical SMILES for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium) is CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ncc3ccc(CC(C)C)cc3n2)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3ccc(C(C)C)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium)?
The InChIKey is AGPFRHXFFZOUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H21N2.C20H20N.C19H19N2.4C13H24O2.4Ir/c1-13(2)7-16-5-6-17-12-21-20(22-19(17)11-16)18-9-14(3)8-15(4)10-18;1-13(2)8-16-6-5-7-19-18(16)12-21-20(22-19)17-10-14(3)9-15(4)11-17;1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;1-12(2)15-5-6-18-17(10-15)19(21-11-20-18)16-8-13(3)7-14(4)9-16;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-6,8-9,11-13H,7H2,1-4H3;5-7,9-10,12-13H,8H2,1-4H3;5-10,12-13H,1-4H3;5-8,10-12H,1-4H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.
What are the key properties of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium)?
tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium) has a molecular weight of 2746.77 g/mol, XLogP of 35.57, 38 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;tetrakis(iridium) is sourced from PubChem (CID 159305213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).