5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium)

C146H172F6Ir4N4O8-4 — CID 157119729

IUPAC5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium)
SMILESCCC(C)(C)C(=O)C(=C(O)C(C)(C)CC)C1CCCC1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C22H17FN.2C21H14F2N.C21H15FN.C18H32O2.2C15H28O2.C13H24O2.4Ir/c1-13-8-14(2)10-17(9-13)22-19-5-4-16-11-15(3)21(23)12-20(16)18(19)6-7-24-22;2*1-12-7-13(2)9-14(8-12)21-18-4-3-17-19(16(18)5-6-24-21)10-15(22)11-20(17)23;1-13-10-14(2)12-15(11-13)21-19-7-6-18-16(4-3-5-20(18)22)17(19)8-9-23-21;1-7-17(3,4)15(19)14(13-11-9-10-12-13)16(20)18(5,6)8-2;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-9,11-12H,1-3H3;2*3-8,10-11H,1-2H3;3-11H,1-2H3;13,19H,7-12H2,1-6H3;2*11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyFIGNZTVYGWGROO-UHFFFAOYSA-N
MW2993.86 g/mol
LogP41.62
Rot. Bonds31

About 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium)

5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium) (PubChem CID 157119729) has the molecular formula C146H172F6Ir4N4O8-4 and a molecular weight of 2993.86 g/mol. Its IUPAC name is 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium).

Molecular Properties

Compound Name5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium)
PubChem CID157119729
Molecular FormulaC146H172F6Ir4N4O8-4
Molecular Weight2993.86 g/mol
Exact Mass2995.16
IUPAC Name5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium)
SMILESCCC(C)(C)C(=O)C(=C(O)C(C)(C)CC)C1CCCC1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C22H17FN.2C21H14F2N.C21H15FN.C18H32O2.2C15H28O2.C13H24O2.4Ir/c1-13-8-14(2)10-17(9-13)22-19-5-4-16-11-15(3)21(23)12-20(16)18(19)6-7-24-22;2*1-12-7-13(2)9-14(8-12)21-18-4-3-17-19(16(18)5-6-24-21)10-15(22)11-20(17)23;1-13-10-14(2)12-15(11-13)21-19-7-6-18-16(4-3-5-20(18)22)17(19)8-9-23-21;1-7-17(3,4)15(19)14(13-11-9-10-12-13)16(20)18(5,6)8-2;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-9,11-12H,1-3H3;2*3-8,10-11H,1-2H3;3-11H,1-2H3;13,19H,7-12H2,1-6H3;2*11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyFIGNZTVYGWGROO-UHFFFAOYSA-N
XLogP41.62
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002993.86
LogP ≤ 541.62
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine);hexakis((1Z)-2,2,2-trifluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethanolate)
CID 139139940
6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;iridium
CID 155637962
6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;iridium
CID 155639274
3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;iridium
CID 155639279
6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;iridium
CID 155639281
1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-deuterio-6-propan-2-ylisoquinoline;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;iridium
CID 155639286
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
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;iridium;2-phenylpyridine
CID 155639305
6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;iridium
CID 155639317
6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;iridium
CID 155639324
bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;iridium
CID 155639333
bis(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;iridium
CID 155639349

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium)?
The IUPAC name of 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium) (CID 157119729) is 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium).
What is the SMILES notation for 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium)?
The canonical SMILES for 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium) is CCC(C)(C)C(=O)C(=C(O)C(C)(C)CC)C1CCCC1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium)?
The InChIKey is FIGNZTVYGWGROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN.2C21H14F2N.C21H15FN.C18H32O2.2C15H28O2.C13H24O2.4Ir/c1-13-8-14(2)10-17(9-13)22-19-5-4-16-11-15(3)21(23)12-20(16)18(19)6-7-24-22;2*1-12-7-13(2)9-14(8-12)21-18-4-3-17-19(16(18)5-6-24-21)10-15(22)11-20(17)23;1-13-10-14(2)12-15(11-13)21-19-7-6-18-16(4-3-5-20(18)22)17(19)8-9-23-21;1-7-17(3,4)15(19)14(13-11-9-10-12-13)16(20)18(5,6)8-2;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-9,11-12H,1-3H3;2*3-8,10-11H,1-2H3;3-11H,1-2H3;13,19H,7-12H2,1-6H3;2*11,16H,7-10H2,1-6H3;9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium)?
5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium) has a molecular weight of 2993.86 g/mol, XLogP of 41.62, 31 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;tetrakis(iridium) is sourced from PubChem (CID 157119729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).