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)

C188H187F9Ir5N5O10-5 — CID 162202825

IUPAC3,7-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)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC(C)(CC)C(=O)C=C(O)C(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(-c2nccc3cc(-c4ccccc4)c4cc(C(F)(F)F)ccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4cc(C(F)(F)F)ccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4ccc(F)cc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4ccc(F)cc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4ccc(F)cc4c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C28H19F3N.3C27H19FN.C15H28O2.2C13H24O2.2C5H8O2.5Ir/c2*1-17-12-18(2)14-21(13-17)27-26-20(10-11-32-27)15-24(19-6-4-3-5-7-19)25-16-22(28(29,30)31)8-9-23(25)26;3*1-17-12-18(2)14-21(13-17)27-26-20(10-11-29-27)15-24(19-6-4-3-5-7-19)23-9-8-22(28)16-25(23)26;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-4(6)3-5(2)7;;;;;/h2*3-13,15-16H,1-2H3;3*3-13,15-16H,1-2H3;11,16H,7-10H2,1-6H3;2*9-11,14H,5-8H2,1-4H3;2*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyRKVFWOODFUOECT-UHFFFAOYSA-N
MW3808.66 g/mol
LogP52.60
Rot. Bonds33

About 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)

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) (PubChem CID 162202825) has the molecular formula C188H187F9Ir5N5O10-5 and a molecular weight of 3808.66 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name3,7-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)
PubChem CID162202825
Molecular FormulaC188H187F9Ir5N5O10-5
Molecular Weight3808.66 g/mol
Exact Mass3810.23
IUPAC Name3,7-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)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC(C)(CC)C(=O)C=C(O)C(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(-c2nccc3cc(-c4ccccc4)c4cc(C(F)(F)F)ccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4cc(C(F)(F)F)ccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4ccc(F)cc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4ccc(F)cc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4ccc(F)cc4c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C28H19F3N.3C27H19FN.C15H28O2.2C13H24O2.2C5H8O2.5Ir/c2*1-17-12-18(2)14-21(13-17)27-26-20(10-11-32-27)15-24(19-6-4-3-5-7-19)25-16-22(28(29,30)31)8-9-23(25)26;3*1-17-12-18(2)14-21(13-17)27-26-20(10-11-29-27)15-24(19-6-4-3-5-7-19)23-9-8-22(28)16-25(23)26;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-4(6)3-5(2)7;;;;;/h2*3-13,15-16H,1-2H3;3*3-13,15-16H,1-2H3;11,16H,7-10H2,1-6H3;2*9-11,14H,5-8H2,1-4H3;2*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyRKVFWOODFUOECT-UHFFFAOYSA-N
XLogP52.60
TPSA250.95 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003808.66
LogP ≤ 552.60
H-Bond Donors ≤ 55
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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) with MolForge

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Related Compounds

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-6-phenylbenzo[h]isoquinoline;iridium
CID 155620695
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;iridium
CID 155619413
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium)
CID 158337825
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;iridium
CID 153474940
1-[3,5-bis(trideuteriomethyl)benzene-6-id-1-yl]-8-fluoro-6-propan-2-ylbenzo[h]isoquinoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 155620650
1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 155620611
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-fluoro-7-phenyl-[1]benzoselenolo[2,3-c]pyridine;iridium
CID 168736858
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;iridium;2-phenylpyridine
CID 155620592
(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
4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-11-phenylnaphtho[1,2-h]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162451996
1-(3,5-dimethylbenzene-6-id-1-yl)-8-fluorobenzo[h]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 161277043
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline);iridium
CID 171052110

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC(C)(CC)C(=O)C=C(O)C(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(-c2nccc3cc(-c4ccccc4)c4cc(C(F)(F)F)ccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4cc(C(F)(F)F)ccc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4ccc(F)cc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4ccc(F)cc4c23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(-c4ccccc4)c4ccc(F)cc4c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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)?
The InChIKey is RKVFWOODFUOECT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H19F3N.3C27H19FN.C15H28O2.2C13H24O2.2C5H8O2.5Ir/c2*1-17-12-18(2)14-21(13-17)27-26-20(10-11-32-27)15-24(19-6-4-3-5-7-19)25-16-22(28(29,30)31)8-9-23(25)26;3*1-17-12-18(2)14-21(13-17)27-26-20(10-11-29-27)15-24(19-6-4-3-5-7-19)23-9-8-22(28)16-25(23)26;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-4(6)3-5(2)7;;;;;/h2*3-13,15-16H,1-2H3;3*3-13,15-16H,1-2H3;11,16H,7-10H2,1-6H3;2*9-11,14H,5-8H2,1-4H3;2*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 3808.66 g/mol, XLogP of 52.60, 33 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 162202825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).