2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium)

C260H317F9N10O33S2Y5 — CID 157112494

IUPAC2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium)
SMILESC.C.C.C.C.C.C.C.C=C(C)OCOc1ccc(C)cc1C.C=CCOc1ccc(C(C)(c2ccc(OCC=C)c(C)c2)C(F)(F)F)cc1C.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.CN1C(=O)c2ccc(C(=O)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.Cc1c(C)c(C)c(C)c(C)c1C.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)cc(C)c1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(S(=O)(=O)O)c(C)c1.Cc1ccc(S)c(C)c1.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C23H25F3O2.C19H12N2O5.C18H12N2O4.C17H17F3O2.C16H15F3.C14H14N2O4.C12H14N2O4.C12H8N2O4.C12H16O2.5C12H18.C9H12.C8H10O3S.3C8H10O.C8H10S.8CH4.5Y/c1-6-12-27-20-10-8-18(14-16(20)3)22(5,23(24,25)26)19-9-11-21(17(4)15-19)28-13-7-2;1-20-16(23)11-5-3-9(7-13(11)18(20)25)15(22)10-4-6-12-14(8-10)19(26)21(2)17(12)24;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;2*1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17;1-9(2)13-8-14-12-6-5-10(3)7-11(12)4;5*1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-4-8(2)6-9(3)5-7;1-6-3-4-8(7(2)5-6)12(9,10)11;4*1-6-3-4-8(9)7(2)5-6;;;;;;;;;;;;;/h6-11,14-15H,1-2,12-13H2,3-5H3;3-8H,1-2H3;3-8H,1-2H3;4-9,21-22H,1-3H3;4-9H,1-3H3;3-10H,1-2H3;5-8H,3-4H2,1-2H3;3-4H,1-2H3;5-7H,1,8H2,2-4H3;5*1-6H3;4-6H,1-3H3;3-5H,1-2H3,(H,9,10,11);4*3-5,9H,1-2H3;8*1H4;;;;;
InChIKeyAHABFCUZEFLKQS-UHFFFAOYSA-N
MW4790.08 g/mol
LogP55.58
Rot. Bonds19

About 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium)

2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium) (PubChem CID 157112494) has the molecular formula C260H317F9N10O33S2Y5 and a molecular weight of 4790.08 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;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium).

Molecular Properties

Compound Name2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium)
PubChem CID157112494
Molecular FormulaC260H317F9N10O33S2Y5
Molecular Weight4790.08 g/mol
Exact Mass4786.80
IUPAC Name2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium)
SMILESC.C.C.C.C.C.C.C.C=C(C)OCOc1ccc(C)cc1C.C=CCOc1ccc(C(C)(c2ccc(OCC=C)c(C)c2)C(F)(F)F)cc1C.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.CN1C(=O)c2ccc(C(=O)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.Cc1c(C)c(C)c(C)c(C)c1C.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)cc(C)c1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(S(=O)(=O)O)c(C)c1.Cc1ccc(S)c(C)c1.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C23H25F3O2.C19H12N2O5.C18H12N2O4.C17H17F3O2.C16H15F3.C14H14N2O4.C12H14N2O4.C12H8N2O4.C12H16O2.5C12H18.C9H12.C8H10O3S.3C8H10O.C8H10S.8CH4.5Y/c1-6-12-27-20-10-8-18(14-16(20)3)22(5,23(24,25)26)19-9-11-21(17(4)15-19)28-13-7-2;1-20-16(23)11-5-3-9(7-13(11)18(20)25)15(22)10-4-6-12-14(8-10)19(26)21(2)17(12)24;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;2*1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17;1-9(2)13-8-14-12-6-5-10(3)7-11(12)4;5*1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-4-8(2)6-9(3)5-7;1-6-3-4-8(7(2)5-6)12(9,10)11;4*1-6-3-4-8(9)7(2)5-6;;;;;;;;;;;;;/h6-11,14-15H,1-2,12-13H2,3-5H3;3-8H,1-2H3;3-8H,1-2H3;4-9,21-22H,1-3H3;4-9H,1-3H3;3-10H,1-2H3;5-8H,3-4H2,1-2H3;3-4H,1-2H3;5-7H,1,8H2,2-4H3;5*1-6H3;4-6H,1-3H3;3-5H,1-2H3,(H,9,10,11);4*3-5,9H,1-2H3;8*1H4;;;;;
InChIKeyAHABFCUZEFLKQS-UHFFFAOYSA-N
XLogP55.58
TPSA586.69 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds19
Heavy Atoms319
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004790.08
LogP ≤ 555.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium) with MolForge

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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;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium)?
The IUPAC name of 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium) (CID 157112494) is 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(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;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium)?
The canonical SMILES for 2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium) is C.C.C.C.C.C.C.C.C=C(C)OCOc1ccc(C)cc1C.C=CCOc1ccc(C(C)(c2ccc(OCC=C)c(C)c2)C(F)(F)F)cc1C.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.CN1C(=O)c2ccc(C(=O)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.Cc1c(C)c(C)c(C)c(C)c1C.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)cc(C)c1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(S(=O)(=O)O)c(C)c1.Cc1ccc(S)c(C)c1.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O.[Y].[Y].[Y].[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;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium)?
The InChIKey is AHABFCUZEFLKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3O2.C19H12N2O5.C18H12N2O4.C17H17F3O2.C16H15F3.C14H14N2O4.C12H14N2O4.C12H8N2O4.C12H16O2.5C12H18.C9H12.C8H10O3S.3C8H10O.C8H10S.8CH4.5Y/c1-6-12-27-20-10-8-18(14-16(20)3)22(5,23(24,25)26)19-9-11-21(17(4)15-19)28-13-7-2;1-20-16(23)11-5-3-9(7-13(11)18(20)25)15(22)10-4-6-12-14(8-10)19(26)21(2)17(12)24;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;2*1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17;1-9(2)13-8-14-12-6-5-10(3)7-11(12)4;5*1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-4-8(2)6-9(3)5-7;1-6-3-4-8(7(2)5-6)12(9,10)11;4*1-6-3-4-8(9)7(2)5-6;;;;;;;;;;;;;/h6-11,14-15H,1-2,12-13H2,3-5H3;3-8H,1-2H3;3-8H,1-2H3;4-9,21-22H,1-3H3;4-9H,1-3H3;3-10H,1-2H3;5-8H,3-4H2,1-2H3;3-4H,1-2H3;5-7H,1,8H2,2-4H3;5*1-6H3;4-6H,1-3H3;3-5H,1-2H3,(H,9,10,11);4*3-5,9H,1-2H3;8*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;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium)?
2,6-dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium) has a molecular weight of 4790.08 g/mol, XLogP of 55.58, 19 rotatable bonds, 7 hydrogen bond donors, and 35 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;2,4-dimethylbenzenesulfonic acid;2,4-dimethylbenzenethiol;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;tris(2,4-dimethylphenol);2,4-dimethyl-1-(prop-1-en-2-yloxymethoxy)benzene;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;pentakis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-1-prop-2-enoxy-4-[1,1,1-trifluoro-2-(3-methyl-4-prop-2-enoxyphenyl)propan-2-yl]benzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,3,5-trimethylbenzene;pentakis(yttrium) is sourced from PubChem (CID 157112494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).