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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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

C181H138F18N12O28S — CID 159274562

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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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 159274562) has the molecular formula C181H138F18N12O28S and a molecular weight of 3303.18 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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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: 159274562
• Molecular Formula: C181H138F18N12O28S
• Molecular Weight: 3303.18 g/mol
• Exact Mass: 3300.92
• 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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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(=O)c5ccc6c(c5)C(=O)N(C)C6=O)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/C33H18F6N2O5.C32H18F6N2O6S.C32H18F6N2O5.3C28H28N2O4/c1-15-3-7-19(25(11-15)32(34,35)36)20-10-6-18(14-26(20)33(37,38)39)41-30(45)22-9-5-17(13-24(22)31(41)46)27(42)16-4-8-21-23(12-16)29(44)40(2)28(21)43;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: KYDDOVCNDCYEDR-UHFFFAOYSA-N
• XLogP: 32.00
• TPSA: 509.00 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3303.18
LogP ≤ 5	32.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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 159274562) 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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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(=O)c5ccc6c(c5)C(=O)N(C)C6=O)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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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 KYDDOVCNDCYEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18F6N2O5.C32H18F6N2O6S.C32H18F6N2O5.3C28H28N2O4/c1-15-3-7-19(25(11-15)32(34,35)36)20-10-6-18(14-26(20)33(37,38)39)41-30(45)22-9-5-17(13-24(22)31(41)46)27(42)16-4-8-21-23(12-16)29(44)40(2)28(21)43;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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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 3303.18 g/mol, XLogP of 32.00, 18 rotatable bonds, 0 hydrogen bond donors, and 28 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);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-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 159274562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).