2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide

C128H133F9N4O18S — CID 158760852

About 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide

2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide (PubChem CID 158760852) has the molecular formula C128H133F9N4O18S and a molecular weight of 2218.53 g/mol. Its IUPAC name is 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide.

Molecular Properties

• Compound Name: 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide
• PubChem CID: 158760852
• Molecular Formula: C128H133F9N4O18S
• Molecular Weight: 2218.53 g/mol
• Exact Mass: 2216.92
• IUPAC Name: 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide
• SMILES: C=C(C)C(=O)OCCOC(=O)c1cc(C)cc(C)c1.C=C(C)C(=O)OCCOC(=O)c1cc(C)cc(C)c1.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=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.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1-2.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1
• InChI: InChI=1S/2C21H15F3N2O4.C16H15F3.C16H16O2S.2C15H18O4.2C12H18/c2*1-20(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;1-9-5-13-14-6-10(2)12(4)8-16(14)19(17,18)15(13)7-11(9)3;2*1-10(2)14(16)18-5-6-19-15(17)13-8-11(3)7-12(4)9-13;2*1-7-8(2)10(4)12(6)11(5)9(7)3/h2*4-9H,1-3H3;4-9H,1-3H3;5-8H,1-4H3;2*7-9H,1,5-6H2,2-4H3;2*1-6H3
• InChIKey: IOQMTMDYJSAJIM-UHFFFAOYSA-N
• XLogP: 27.28
• TPSA: 288.86 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2218.53
LogP ≤ 5	27.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide?

The IUPAC name of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide (CID 158760852) is 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide.

What is the SMILES notation for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide?

The canonical SMILES for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide is C=C(C)C(=O)OCCOC(=O)c1cc(C)cc(C)c1.C=C(C)C(=O)OCCOC(=O)c1cc(C)cc(C)c1.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=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.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1-2.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.

What is the InChIKey of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide?

The InChIKey is IOQMTMDYJSAJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15F3N2O4.C16H15F3.C16H16O2S.2C15H18O4.2C12H18/c2*1-20(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;1-9-5-13-14-6-10(2)12(4)8-16(14)19(17,18)15(13)7-11(9)3;2*1-10(2)14(16)18-5-6-19-15(17)13-8-11(3)7-12(4)9-13;2*1-7-8(2)10(4)12(6)11(5)9(7)3/h2*4-9H,1-3H3;4-9H,1-3H3;5-8H,1-4H3;2*7-9H,1,5-6H2,2-4H3;2*1-6H3.

What are the key properties of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide?

2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide has a molecular weight of 2218.53 g/mol, XLogP of 27.28, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(1,2,3,4,5,6-hexamethylbenzene);bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide is sourced from PubChem (CID 158760852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).