2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium)

C148H177F9N6O20Y2 — CID 158729084

About 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium)

2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium) (PubChem CID 158729084) has the molecular formula C148H177F9N6O20Y2 and a molecular weight of 2708.86 g/mol. Its IUPAC name is 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium).

Molecular Properties

• Compound Name: 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium)
• PubChem CID: 158729084
• Molecular Formula: C148H177F9N6O20Y2
• Molecular Weight: 2708.86 g/mol
• Exact Mass: 2707.10
• IUPAC Name: 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium)
• SMILES: C.C.C.C.CN1C(=O)C2C3C=CC(C2C1=O)C1C(=O)N(C)C(=O)C31.CN1C(=O)C2CC3C(=O)N(C)C(=O)C3CC2C1=O.CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C(C)(c2ccc(O)c(C)c2)C(F)(F)F)ccc1O.Cc1cc(C(C)(c2ccc(OCC3(C)COC3)c(C)c2)C(F)(F)F)ccc1OCC1(C)COC1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.[Y].[Y]
• InChI: InChI=1S/C27H33F3O4.C18H12N2O4.C17H17F3O2.C16H15F3.C14H14N2O4.C12H14N2O4.2C12H18.2C8H10O.4CH4.2Y/c1-18-10-20(6-8-22(18)33-16-24(3)12-31-13-24)26(5,27(28,29)30)21-7-9-23(19(2)11-21)34-17-25(4)14-32-15-25;1-19-15(21)11-5-3-9(7-13(11)17(19)23)10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-10-8-12(4-6-14(10)21)16(3,17(18,19)20)13-5-7-15(22)11(2)9-13;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-15-11(17)7-5-3-4-6(8(7)12(15)18)10-9(5)13(19)16(2)14(10)20;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17;2*1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-6-3-4-8(9)7(2)5-6;;;;;;/h6-11H,12-17H2,1-5H3;3-8H,1-2H3;4-9,21-22H,1-3H3;4-9H,1-3H3;3-10H,1-2H3;5-8H,3-4H2,1-2H3;2*1-6H3;2*3-5,9H,1-2H3;4*1H4
• InChIKey: IKWKGUIAUBQHDO-UHFFFAOYSA-N
• XLogP: 29.83
• TPSA: 342.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2708.86
LogP ≤ 5	29.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium)?

The IUPAC name of 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium) (CID 158729084) is 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium).

What is the SMILES notation for 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium)?

The canonical SMILES for 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium) is C.C.C.C.CN1C(=O)C2C3C=CC(C2C1=O)C1C(=O)N(C)C(=O)C31.CN1C(=O)C2CC3C(=O)N(C)C(=O)C3CC2C1=O.CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C(C)(c2ccc(O)c(C)c2)C(F)(F)F)ccc1O.Cc1cc(C(C)(c2ccc(OCC3(C)COC3)c(C)c2)C(F)(F)F)ccc1OCC1(C)COC1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.[Y].[Y].

What is the InChIKey of 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium)?

The InChIKey is IKWKGUIAUBQHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3O4.C18H12N2O4.C17H17F3O2.C16H15F3.C14H14N2O4.C12H14N2O4.2C12H18.2C8H10O.4CH4.2Y/c1-18-10-20(6-8-22(18)33-16-24(3)12-31-13-24)26(5,27(28,29)30)21-7-9-23(19(2)11-21)34-17-25(4)14-32-15-25;1-19-15(21)11-5-3-9(7-13(11)17(19)23)10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-10-8-12(4-6-14(10)21)16(3,17(18,19)20)13-5-7-15(22)11(2)9-13;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-15-11(17)7-5-3-4-6(8(7)12(15)18)10-9(5)13(19)16(2)14(10)20;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17;2*1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-6-3-4-8(9)7(2)5-6;;;;;;/h6-11H,12-17H2,1-5H3;3-8H,1-2H3;4-9,21-22H,1-3H3;4-9H,1-3H3;3-10H,1-2H3;5-8H,3-4H2,1-2H3;2*1-6H3;2*3-5,9H,1-2H3;4*1H4;;.

What are the key properties of 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium)?

2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium) has a molecular weight of 2708.86 g/mol, XLogP of 29.83, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium) is sourced from PubChem (CID 158729084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).