3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline)

C153H166Ir5N5O15-5 — CID 159375519

IUPAC3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline)
SMILESCC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1cnc(Oc2[c-]cccc2)c2ccc3ccccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1Oc1nccc2cc3ccccc3cc12.[c-]1ccccc1Oc1nccc2cc3ccccc3cc12.[c-]1ccccc1Oc1nccc2cc3ccccc3cc12.[c-]1ccccc1Oc1nccc2cc3ccccc3cc12
InChIInChI=1S/C20H14NO.4C19H12NO.C15H28O2.2C13H24O2.C11H20O2.C5H8O2.5Ir/c1-14-13-21-20(22-16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)19(14)18;4*1-2-8-17(9-3-1)21-19-18-13-15-7-5-4-6-14(15)12-16(18)10-11-20-19;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(6)3-5(2)7;;;;;/h2-8,10-13H,1H3;4*1-8,10-13H;11,16H,7-10H2,1-6H3;9,14H,7-8H2,1-6H3;9-11,14H,5-8H2,1-4H3;7,12H,1-6H3;3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyLVRHAEOTMAVEEZ-UHFFFAOYSA-N
MW3276.12 g/mol
LogP41.71
Rot. Bonds31

About 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline)

3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline) (PubChem CID 159375519) has the molecular formula C153H166Ir5N5O15-5 and a molecular weight of 3276.12 g/mol. Its IUPAC name is 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline).

Molecular Properties

Compound Name3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline)
PubChem CID159375519
Molecular FormulaC153H166Ir5N5O15-5
Molecular Weight3276.12 g/mol
Exact Mass3278.06
IUPAC Name3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline)
SMILESCC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1cnc(Oc2[c-]cccc2)c2ccc3ccccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1Oc1nccc2cc3ccccc3cc12.[c-]1ccccc1Oc1nccc2cc3ccccc3cc12.[c-]1ccccc1Oc1nccc2cc3ccccc3cc12.[c-]1ccccc1Oc1nccc2cc3ccccc3cc12
InChIInChI=1S/C20H14NO.4C19H12NO.C15H28O2.2C13H24O2.C11H20O2.C5H8O2.5Ir/c1-14-13-21-20(22-16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)19(14)18;4*1-2-8-17(9-3-1)21-19-18-13-15-7-5-4-6-14(15)12-16(18)10-11-20-19;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(6)3-5(2)7;;;;;/h2-8,10-13H,1H3;4*1-8,10-13H;11,16H,7-10H2,1-6H3;9,14H,7-8H2,1-6H3;9-11,14H,5-8H2,1-4H3;7,12H,1-6H3;3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyLVRHAEOTMAVEEZ-UHFFFAOYSA-N
XLogP41.71
TPSA297.10 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003276.12
LogP ≤ 541.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline) with MolForge

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Related Compounds

3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);pentakis(3-(phenoxy)isoquinoline)
CID 157180428
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;1-(phenoxy)-7-phenylbenzo[g]isoquinoline
CID 153460487
6-cyclohexyl-3-(phenoxy)benzo[g]isoquinoline;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;6,8-dimethyl-3-(phenoxy)benzo[g]isoquinoline;4-hydroxypent-3-en-2-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;tris(iridium);4-(2H-pyridin-2-id-3-yloxy)benzo[f]isoquinoline
CID 158430393
5-tert-butyl-3-(phenoxy)benzo[g]isoquinoline;3,7-diethyl-6-hydroxynon-5-en-4-one;3-(3,5-dimethylbenzene-6-id-1-yl)oxybenzo[g]isoquinoline;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tris(iridium);3-(phenoxy)-4-phenylbenzo[g]isoquinoline
CID 162067354
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;4-(4H-pyridin-4-id-3-yloxy)benzo[f]isoquinoline
CID 153460987
(Z)-4-hydroxypent-3-en-2-one;iridium;4-(phenoxy)benzo[f]isoquinoline
CID 153460715
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;7-(phenoxy)selenopheno[2,3-c]pyridine
CID 153460776
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;4-(phenoxy)thieno[3,2-c]pyridine
CID 153460616
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(1-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-6-phenylbenzo[h]isoquinoline);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-phenyl-8-(trifluoromethyl)benzo[h]isoquinoline);bis(4-hydroxypent-3-en-2-one);pentakis(iridium)
CID 162202825
(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;3-(phenoxy)-1-propan-2-ylisoquinoline
CID 153460808
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;6,8-dimethyl-3-(phenoxy)benzo[g]isoquinoline;iridium
CID 153460753
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;3-(phenoxy)isoquinoline
CID 153460572

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline)?
The IUPAC name of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline) (CID 159375519) is 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline).
What is the SMILES notation for 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline)?
The canonical SMILES for 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline) is CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1cnc(Oc2[c-]cccc2)c2ccc3ccccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1Oc1nccc2cc3ccccc3cc12.[c-]1ccccc1Oc1nccc2cc3ccccc3cc12.[c-]1ccccc1Oc1nccc2cc3ccccc3cc12.[c-]1ccccc1Oc1nccc2cc3ccccc3cc12.
What is the InChIKey of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline)?
The InChIKey is LVRHAEOTMAVEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14NO.4C19H12NO.C15H28O2.2C13H24O2.C11H20O2.C5H8O2.5Ir/c1-14-13-21-20(22-16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)19(14)18;4*1-2-8-17(9-3-1)21-19-18-13-15-7-5-4-6-14(15)12-16(18)10-11-20-19;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(6)3-5(2)7;;;;;/h2-8,10-13H,1H3;4*1-8,10-13H;11,16H,7-10H2,1-6H3;9,14H,7-8H2,1-6H3;9-11,14H,5-8H2,1-4H3;7,12H,1-6H3;3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline)?
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline) has a molecular weight of 3276.12 g/mol, XLogP of 41.71, 31 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;3,7-diethyl-6-hydroxynon-5-en-4-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;pentakis(iridium);1-methyl-4-(phenoxy)benzo[f]isoquinoline;tetrakis(1-(phenoxy)benzo[g]isoquinoline) is sourced from PubChem (CID 159375519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).