tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione

C183H138F24N12O27S — CID 161007389

About tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione

tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione (PubChem CID 161007389) has the molecular formula C183H138F24N12O27S and a molecular weight of 3425.19 g/mol. Its IUPAC name is tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione.

Molecular Properties

• Compound Name: tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
• PubChem CID: 161007389
• Molecular Formula: C183H138F24N12O27S
• Molecular Weight: 3425.19 g/mol
• Exact Mass: 3422.91
• IUPAC Name: tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
• SMILES: Cc1ccc(-c2ccc(N3C(=O)C4C5CCC(C6C(=O)N(C)C(=O)C56)C4C3=O)cc2C)c(C)c1.Cc1ccc(-c2ccc(N3C(=O)C4C5CCC(C6C(=O)N(C)C(=O)C56)C4C3=O)cc2C)c(C)c1.Cc1ccc(-c2ccc(N3C(=O)C4C5CCC(C6C(=O)N(C)C(=O)C56)C4C3=O)cc2C)c(C)c1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
• InChI: InChI=1S/C35H18F12N2O4.C32H18F6N2O6S.C32H18F6N2O5.3C28H28N2O4/c1-15-3-7-19(25(11-15)32(36,37)38)20-10-6-18(14-26(20)33(39,40)41)49-29(52)22-9-5-17(13-24(22)30(49)53)31(34(42,43)44,35(45,46)47)16-4-8-21-23(12-16)28(51)48(2)27(21)50;1-15-3-7-19(25(11-15)31(33,34)35)20-8-4-16(12-26(20)32(36,37)38)40-29(43)22-10-6-18(14-24(22)30(40)44)47(45,46)17-5-9-21-23(13-17)28(42)39(2)27(21)41;1-15-3-7-19(25(11-15)31(33,34)35)20-8-4-16(12-26(20)32(36,37)38)40-29(43)22-10-6-18(14-24(22)30(40)44)45-17-5-9-21-23(13-17)28(42)39(2)27(21)41;3*1-13-5-7-17(14(2)11-13)18-8-6-16(12-15(18)3)30-27(33)23-19-9-10-20(24(23)28(30)34)22-21(19)25(31)29(4)26(22)32/h3-14H,1-2H3;3-14H,1-2H3;3-14H,1-2H3;3*5-8,11-12,19-24H,9-10H2,1-4H3
• InChIKey: TWRKIPZEHUOJIU-UHFFFAOYSA-N
• XLogP: 34.18
• TPSA: 491.93 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3425.19
LogP ≤ 5	34.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?

The IUPAC name of tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione (CID 161007389) is tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione.

What is the SMILES notation for tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?

The canonical SMILES for tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione is Cc1ccc(-c2ccc(N3C(=O)C4C5CCC(C6C(=O)N(C)C(=O)C56)C4C3=O)cc2C)c(C)c1.Cc1ccc(-c2ccc(N3C(=O)C4C5CCC(C6C(=O)N(C)C(=O)C56)C4C3=O)cc2C)c(C)c1.Cc1ccc(-c2ccc(N3C(=O)C4C5CCC(C6C(=O)N(C)C(=O)C56)C4C3=O)cc2C)c(C)c1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1.

What is the InChIKey of tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?

The InChIKey is TWRKIPZEHUOJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H18F12N2O4.C32H18F6N2O6S.C32H18F6N2O5.3C28H28N2O4/c1-15-3-7-19(25(11-15)32(36,37)38)20-10-6-18(14-26(20)33(39,40)41)49-29(52)22-9-5-17(13-24(22)30(49)53)31(34(42,43)44,35(45,46)47)16-4-8-21-23(12-16)28(51)48(2)27(21)50;1-15-3-7-19(25(11-15)31(33,34)35)20-8-4-16(12-26(20)32(36,37)38)40-29(43)22-10-6-18(14-24(22)30(40)44)47(45,46)17-5-9-21-23(13-17)28(42)39(2)27(21)41;1-15-3-7-19(25(11-15)31(33,34)35)20-8-4-16(12-26(20)32(36,37)38)40-29(43)22-10-6-18(14-24(22)30(40)44)45-17-5-9-21-23(13-17)28(42)39(2)27(21)41;3*1-13-5-7-17(14(2)11-13)18-8-6-16(12-15(18)3)30-27(33)23-19-9-10-20(24(23)28(30)34)22-21(19)25(31)29(4)26(22)32/h3-14H,1-2H3;3-14H,1-2H3;3-14H,1-2H3;3*5-8,11-12,19-24H,9-10H2,1-4H3.

What are the key properties of tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?

tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione has a molecular weight of 3425.19 g/mol, XLogP of 34.18, 18 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione is sourced from PubChem (CID 161007389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).