4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)

C139H158F8Ir4N4O8-4 — CID 159553486

IUPAC4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(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)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.Cc1[c-]c(-c2nccc3c2ccc2c(C)cc(C(F)(F)F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(C)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(F)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H17F3N.C22H17FN.2C21H14F2N.4C13H24O2.4Ir/c1-13-8-14(2)10-16(9-13)22-20-5-4-18-15(3)11-17(23(24,25)26)12-21(18)19(20)6-7-27-22;1-13-8-14(2)10-16(9-13)22-20-5-4-18-15(3)11-17(23)12-21(18)19(20)6-7-24-22;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;1-12-7-13(2)9-15(8-12)21-17-4-3-14-10-19(22)20(23)11-18(14)16(17)5-6-24-21;4*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;;;;/h4-9,11-12H,1-3H3;4-9,11-12H,1-3H3;2*3-8,10-11H,1-2H3;4*9,14H,7-8H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyBXWJWLPNHPFMEU-UHFFFAOYSA-N
MW2933.66 g/mol
LogP39.69
Rot. Bonds24

About 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)

4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) (PubChem CID 159553486) has the molecular formula C139H158F8Ir4N4O8-4 and a molecular weight of 2933.66 g/mol. Its IUPAC name is 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium).

Molecular Properties

Compound Name4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
PubChem CID159553486
Molecular FormulaC139H158F8Ir4N4O8-4
Molecular Weight2933.66 g/mol
Exact Mass2935.05
IUPAC Name4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(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)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.Cc1[c-]c(-c2nccc3c2ccc2c(C)cc(C(F)(F)F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(C)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(F)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H17F3N.C22H17FN.2C21H14F2N.4C13H24O2.4Ir/c1-13-8-14(2)10-16(9-13)22-20-5-4-18-15(3)11-17(23(24,25)26)12-21(18)19(20)6-7-27-22;1-13-8-14(2)10-16(9-13)22-20-5-4-18-15(3)11-17(23)12-21(18)19(20)6-7-24-22;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;1-12-7-13(2)9-15(8-12)21-17-4-3-14-10-19(22)20(23)11-18(14)16(17)5-6-24-21;4*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;;;;/h4-9,11-12H,1-3H3;4-9,11-12H,1-3H3;2*3-8,10-11H,1-2H3;4*9,14H,7-8H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyBXWJWLPNHPFMEU-UHFFFAOYSA-N
XLogP39.69
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002933.66
LogP ≤ 539.69
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 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) with MolForge

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Related Compounds

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;iridium
CID 153474937
4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 153474943
4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 153474955
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;iridium
CID 153502207
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;iridium
CID 153502216
5-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 153502227
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[f]isoquinoline;iridium
CID 154589437
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;iridium
CID 154589444
4-(3,5-dimethylbenzene-6-id-1-yl)-9-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 154589467
8-(1-cyclopentylethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 154589533
4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-yl-9-(trifluoromethyl)benzo[f]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 154589548
4-(3,5-dimethylbenzene-6-id-1-yl)-8-propan-2-yl-9-(trifluoromethyl)benzo[f]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 154589552

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?
The IUPAC name of 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) (CID 159553486) is 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium).
What is the SMILES notation for 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?
The canonical SMILES for 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(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)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.Cc1[c-]c(-c2nccc3c2ccc2c(C)cc(C(F)(F)F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(C)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)cc(F)cc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(F)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?
The InChIKey is BXWJWLPNHPFMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N.C22H17FN.2C21H14F2N.4C13H24O2.4Ir/c1-13-8-14(2)10-16(9-13)22-20-5-4-18-15(3)11-17(23(24,25)26)12-21(18)19(20)6-7-27-22;1-13-8-14(2)10-16(9-13)22-20-5-4-18-15(3)11-17(23)12-21(18)19(20)6-7-24-22;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;1-12-7-13(2)9-15(8-12)21-17-4-3-14-10-19(22)20(23)11-18(14)16(17)5-6-24-21;4*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;;;;/h4-9,11-12H,1-3H3;4-9,11-12H,1-3H3;2*3-8,10-11H,1-2H3;4*9,14H,7-8H2,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?
4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) has a molecular weight of 2933.66 g/mol, XLogP of 39.69, 24 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylbenzene-6-id-1-yl)-7,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8,9-difluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 159553486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).