bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)

C144H171F7Ir4N4O8Si-4 — CID 160770187

IUPACbis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
SMILESCCC(C)(C)C(=O)C=C(O)C(C)(C)CC.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(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c(F)c(C)c(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)c([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)ccc(F)c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H23FNSi.C22H16F2N.2C21H14F2N.2C15H28O2.2C13H24O2.4Ir/c1-15-12-16(2)14-17(13-15)24-21-7-6-20-18(19(21)10-11-26-24)8-9-22(23(20)25)27(3,4)5;1-12-8-13(2)10-15(9-12)22-18-5-4-17-19(16(18)6-7-25-22)11-20(23)14(3)21(17)24;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;1-12-9-13(2)11-14(10-12)21-16-3-4-17-18(22)5-6-19(23)20(17)15(16)7-8-24-21;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;2*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;;;;/h6-13H,1-5H3;4-9,11H,1-3H3;3-8,10-11H,1-2H3;3-10H,1-2H3;2*11,16H,7-10H2,1-6H3;2*9,14H,7-8H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyJXIFUPADCTXXPJ-UHFFFAOYSA-N
MW3015.91 g/mol
LogP40.75
Rot. Bonds29

About bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)

bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) (PubChem CID 160770187) has the molecular formula C144H171F7Ir4N4O8Si-4 and a molecular weight of 3015.91 g/mol. Its IUPAC name is bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium).

Molecular Properties

Compound Namebis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
PubChem CID160770187
Molecular FormulaC144H171F7Ir4N4O8Si-4
Molecular Weight3015.91 g/mol
Exact Mass3017.13
IUPAC Namebis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
SMILESCCC(C)(C)C(=O)C=C(O)C(C)(C)CC.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(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c(F)c(C)c(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)c([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)ccc(F)c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H23FNSi.C22H16F2N.2C21H14F2N.2C15H28O2.2C13H24O2.4Ir/c1-15-12-16(2)14-17(13-15)24-21-7-6-20-18(19(21)10-11-26-24)8-9-22(23(20)25)27(3,4)5;1-12-8-13(2)10-15(9-12)22-18-5-4-17-19(16(18)6-7-25-22)11-20(23)14(3)21(17)24;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;1-12-9-13(2)11-14(10-12)21-16-3-4-17-18(22)5-6-19(23)20(17)15(16)7-8-24-21;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;2*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;;;;/h6-13H,1-5H3;4-9,11H,1-3H3;3-8,10-11H,1-2H3;3-10H,1-2H3;2*11,16H,7-10H2,1-6H3;2*9,14H,7-8H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyJXIFUPADCTXXPJ-UHFFFAOYSA-N
XLogP40.75
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003015.91
LogP ≤ 540.75
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) with MolForge

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Related Compounds

4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 154589479
(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
(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
4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluoro-10-(2-phenylphenyl)benzo[f]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 155619403
4-[3,5-bis(trideuteriomethyl)benzene-6-id-1-yl]-7-fluorobenzo[f]isoquinoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 154589518
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;iridium;2-phenylpyridine
CID 155620579
(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
4-tert-butyl-2-phenylpyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-1-methylbenzo[f]isoquinoline;iridium
CID 155620594
(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
4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-methylbenzo[f]isoquinoline;iridium;(Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one
CID 155619473
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylsilane;iridium
CID 166018618
(E)-3,7-diethyl-5-fluoro-6-hydroxynon-5-en-4-one;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;iridium
CID 155620493

Frequently Asked Questions

What is the IUPAC name of bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?
The IUPAC name of bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) (CID 160770187) is bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium).
What is the SMILES notation for bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?
The canonical SMILES for bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) is CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.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(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c(F)c(C)c(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)c([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)ccc(F)c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?
The InChIKey is JXIFUPADCTXXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FNSi.C22H16F2N.2C21H14F2N.2C15H28O2.2C13H24O2.4Ir/c1-15-12-16(2)14-17(13-15)24-21-7-6-20-18(19(21)10-11-26-24)8-9-22(23(20)25)27(3,4)5;1-12-8-13(2)10-15(9-12)22-18-5-4-17-19(16(18)6-7-25-22)11-20(23)14(3)21(17)24;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;1-12-9-13(2)11-14(10-12)21-16-3-4-17-18(22)5-6-19(23)20(17)15(16)7-8-24-21;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;2*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;;;;/h6-13H,1-5H3;4-9,11H,1-3H3;3-8,10-11H,1-2H3;3-10H,1-2H3;2*11,16H,7-10H2,1-6H3;2*9,14H,7-8H2,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?
bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3015.91 g/mol, XLogP of 40.75, 29 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,10-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluoro-8-methylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 160770187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).