8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)

C142H167F5Ir4N4O8-4 — CID 160835510

IUPAC8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)
SMILESCCC(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)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCc1cccc2c1ccc1c(-c3[c-]c(C)cc(C)c3)nccc12.Cc1[c-]c(-c2nccc3c2ccc2c(C)cccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C(C)(F)F)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(CC(F)F)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H17F3N.C23H18F2N.C23H20N.C22H18N.3C13H24O2.C12H22O2.4Ir/c1-13-7-14(2)9-17(8-13)23-19-4-3-15-10-16(11-22(25)26)21(24)12-20(15)18(19)5-6-27-23;1-14-10-15(2)12-17(11-14)22-21-6-4-16-13-18(23(3,24)25)5-7-19(16)20(21)8-9-26-22;1-4-17-6-5-7-20-19(17)8-9-22-21(20)10-11-24-23(22)18-13-15(2)12-16(3)14-18;1-14-11-15(2)13-17(12-14)22-21-8-7-18-16(3)5-4-6-19(18)20(21)9-10-23-22;3*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-7-12(5,6)10(14)8-9(13)11(2,3)4;;;;/h3-8,10,12,22H,11H2,1-2H3;4-11,13H,1-3H3;5-13H,4H2,1-3H3;4-12H,1-3H3;3*9,14H,7-8H2,1-6H3;8,13H,7H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyYODLFDMULYJQPL-UHFFFAOYSA-N
MW2921.78 g/mol
LogP39.90
Rot. Bonds26

About 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)

8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) (PubChem CID 160835510) has the molecular formula C142H167F5Ir4N4O8-4 and a molecular weight of 2921.78 g/mol. Its IUPAC name is 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium).

Molecular Properties

Compound Name8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)
PubChem CID160835510
Molecular FormulaC142H167F5Ir4N4O8-4
Molecular Weight2921.78 g/mol
Exact Mass2923.12
IUPAC Name8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)
SMILESCCC(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)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCc1cccc2c1ccc1c(-c3[c-]c(C)cc(C)c3)nccc12.Cc1[c-]c(-c2nccc3c2ccc2c(C)cccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C(C)(F)F)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(CC(F)F)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H17F3N.C23H18F2N.C23H20N.C22H18N.3C13H24O2.C12H22O2.4Ir/c1-13-7-14(2)9-17(8-13)23-19-4-3-15-10-16(11-22(25)26)21(24)12-20(15)18(19)5-6-27-23;1-14-10-15(2)12-17(11-14)22-21-6-4-16-13-18(23(3,24)25)5-7-19(16)20(21)8-9-26-22;1-4-17-6-5-7-20-19(17)8-9-22-21(20)10-11-24-23(22)18-13-15(2)12-16(3)14-18;1-14-11-15(2)13-17(12-14)22-21-8-7-18-16(3)5-4-6-19(18)20(21)9-10-23-22;3*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-7-12(5,6)10(14)8-9(13)11(2,3)4;;;;/h3-8,10,12,22H,11H2,1-2H3;4-11,13H,1-3H3;5-13H,4H2,1-3H3;4-12H,1-3H3;3*9,14H,7-8H2,1-6H3;8,13H,7H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyYODLFDMULYJQPL-UHFFFAOYSA-N
XLogP39.90
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002921.78
LogP ≤ 539.90
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 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;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

4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8-(2,2,2-trifluoroethyl)benzo[f]isoquinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;pentakis(iridium)
CID 158944728
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
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
bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline);(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 168745438
(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
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
(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
8-(2,6-dimethylphenyl)-4-[4-(trifluoromethyl)-1H-naphthalen-1-id-2-yl]benzo[f]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 170520714
4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162692446
6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 166026548
6-(1-cyclohexylethyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 153474956
4-(3,5-dimethylbenzene-6-id-1-yl)-10-methyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162692664

Frequently Asked Questions

What is the IUPAC name of 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?
The IUPAC name of 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) (CID 160835510) is 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium).
What is the SMILES notation for 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?
The canonical SMILES for 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) is CCC(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)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCc1cccc2c1ccc1c(-c3[c-]c(C)cc(C)c3)nccc12.Cc1[c-]c(-c2nccc3c2ccc2c(C)cccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C(C)(F)F)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(CC(F)F)c(F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?
The InChIKey is YODLFDMULYJQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N.C23H18F2N.C23H20N.C22H18N.3C13H24O2.C12H22O2.4Ir/c1-13-7-14(2)9-17(8-13)23-19-4-3-15-10-16(11-22(25)26)21(24)12-20(15)18(19)5-6-27-23;1-14-10-15(2)12-17(11-14)22-21-6-4-16-13-18(23(3,24)25)5-7-19(16)20(21)8-9-26-22;1-4-17-6-5-7-20-19(17)8-9-22-21(20)10-11-24-23(22)18-13-15(2)12-16(3)14-18;1-14-11-15(2)13-17(12-14)22-21-8-7-18-16(3)5-4-6-19(18)20(21)9-10-23-22;3*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-7-12(5,6)10(14)8-9(13)11(2,3)4;;;;/h3-8,10,12,22H,11H2,1-2H3;4-11,13H,1-3H3;5-13H,4H2,1-3H3;4-12H,1-3H3;3*9,14H,7-8H2,1-6H3;8,13H,7H2,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium)?
8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) has a molecular weight of 2921.78 g/mol, XLogP of 39.90, 26 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline;8-(2,2-difluoroethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-ethylbenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinoline;tris(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);6-hydroxy-3,3,7,7-tetramethyloct-5-en-4-one;tetrakis(iridium) is sourced from PubChem (CID 160835510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).