bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene

C120H128F6N8O23S2 — CID 162190401

About bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene

bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene (PubChem CID 162190401) has the molecular formula C120H128F6N8O23S2 and a molecular weight of 2228.50 g/mol. Its IUPAC name is bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene.

Molecular Properties

• Compound Name: bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene
• PubChem CID: 162190401
• Molecular Formula: C120H128F6N8O23S2
• Molecular Weight: 2228.50 g/mol
• Exact Mass: 2226.84
• IUPAC Name: bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene
• SMILES: CN1C(=O)C2C3CCC(C2C1=O)C1C(=O)N(C)C(=O)C31.CN1C(=O)C2CC3C(=O)N(C)C(=O)C3C2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(S(=O)(=O)O)c(C)c1.Cc1ccc(S(=O)(=O)O)c(C)c1.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O
• InChI: InChI=1S/C21H15F3N2O4.C16H15F3.C14H16N2O4.C12H8N2O4.C12H18.C11H12N2O4.C10H14.2C8H10O3S.C8H10O/c1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;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;1-7-8(2)10(4)12(6)11(5)9(7)3;1-12-8(14)4-3-5-7(6(4)10(12)16)11(17)13(2)9(5)15;1-7-5-9(3)10(4)6-8(7)2;2*1-6-3-4-8(7(2)5-6)12(9,10)11;1-6-3-4-8(9)7(2)5-6/h4-9H,1-3H3;4-9H,1-3H3;5-10H,3-4H2,1-2H3;3-4H,1-2H3;1-6H3;4-7H,3H2,1-2H3;5-6H,1-4H3;2*3-5H,1-2H3,(H,9,10,11);3-5,9H,1-2H3
• InChIKey: ZQFMBIRAVCQASQ-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 431.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 5
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2228.50
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene?

The IUPAC name of bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene (CID 162190401) is bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene.

What is the SMILES notation for bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene?

The canonical SMILES for bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene is CN1C(=O)C2C3CCC(C2C1=O)C1C(=O)N(C)C(=O)C31.CN1C(=O)C2CC3C(=O)N(C)C(=O)C3C2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(S(=O)(=O)O)c(C)c1.Cc1ccc(S(=O)(=O)O)c(C)c1.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O.

What is the InChIKey of bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene?

The InChIKey is ZQFMBIRAVCQASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4.C16H15F3.C14H16N2O4.C12H8N2O4.C12H18.C11H12N2O4.C10H14.2C8H10O3S.C8H10O/c1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;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;1-7-8(2)10(4)12(6)11(5)9(7)3;1-12-8(14)4-3-5-7(6(4)10(12)16)11(17)13(2)9(5)15;1-7-5-9(3)10(4)6-8(7)2;2*1-6-3-4-8(7(2)5-6)12(9,10)11;1-6-3-4-8(9)7(2)5-6/h4-9H,1-3H3;4-9H,1-3H3;5-10H,3-4H2,1-2H3;3-4H,1-2H3;1-6H3;4-7H,3H2,1-2H3;5-6H,1-4H3;2*3-5H,1-2H3,(H,9,10,11);3-5,9H,1-2H3.

What are the key properties of bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene?

bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene has a molecular weight of 2228.50 g/mol, XLogP of 17.20, 5 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethylbenzenesulfonic acid);4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1,2,3,4,5,6-hexamethylbenzene;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 162190401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).