5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione

C178H114F12N10O28 — CID 157297772

About 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione

5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione (PubChem CID 157297772) has the molecular formula C178H114F12N10O28 and a molecular weight of 3068.89 g/mol. Its IUPAC name is 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione
• PubChem CID: 157297772
• Molecular Formula: C178H114F12N10O28
• Molecular Weight: 3068.89 g/mol
• Exact Mass: 3066.76
• IUPAC Name: 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione
• SMILES: Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(C(C)(C)c7ccc(Oc8ccc(N9C(=O)c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)cc8)cc7)cc6)cc4)C5=O)cc3C2=O)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)c(C)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(C2(c3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C68H44N4O14.C43H28N2O5.C35H24F6N2O4.C32H18F6N2O5/c1-36-29-37(67(81)82)31-42(30-36)72-63(77)54-28-24-50(35-58(54)66(72)80)86-49-23-27-53-57(34-49)65(79)71(62(53)76)41-11-19-46(20-12-41)84-44-15-7-39(8-16-44)68(2,3)38-5-13-43(14-6-38)83-45-17-9-40(10-18-45)70-61(75)52-26-22-48(33-56(52)64(70)78)85-47-21-25-51-55(32-47)60(74)69(4)59(51)73;1-25-11-13-26(14-12-25)43(37-9-5-3-7-31(37)32-8-4-6-10-38(32)43)27-15-17-28(18-16-27)45-41(48)34-22-20-30(24-36(34)42(45)49)50-29-19-21-33-35(23-29)40(47)44(2)39(33)46;1-17-5-9-23(18(2)13-17)24-12-8-22(14-19(24)3)43-31(46)26-11-7-21(16-28(26)32(43)47)33(34(36,37)38,35(39,40)41)20-6-10-25-27(15-20)30(45)42(4)29(25)44;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/h5-35H,1-4H3,(H,81,82);3-24H,1-2H3;5-16H,1-4H3;3-14H,1-2H3
• InChIKey: BBNQMOHDVQUDBA-UHFFFAOYSA-N
• XLogP: 36.23
• TPSA: 466.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3068.89
LogP ≤ 5	36.23
H-Bond Donors ≤ 5	1
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 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione?

The IUPAC name of 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione (CID 157297772) is 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione.

What is the SMILES notation for 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione?

The canonical SMILES for 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione is Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(C(C)(C)c7ccc(Oc8ccc(N9C(=O)c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)cc8)cc7)cc6)cc4)C5=O)cc3C2=O)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)c(C)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(C2(c3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione?

The InChIKey is BBNQMOHDVQUDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4O14.C43H28N2O5.C35H24F6N2O4.C32H18F6N2O5/c1-36-29-37(67(81)82)31-42(30-36)72-63(77)54-28-24-50(35-58(54)66(72)80)86-49-23-27-53-57(34-49)65(79)71(62(53)76)41-11-19-46(20-12-41)84-44-15-7-39(8-16-44)68(2,3)38-5-13-43(14-6-38)83-45-17-9-40(10-18-45)70-61(75)52-26-22-48(33-56(52)64(70)78)85-47-21-25-51-55(32-47)60(74)69(4)59(51)73;1-25-11-13-26(14-12-25)43(37-9-5-3-7-31(37)32-8-4-6-10-38(32)43)27-15-17-28(18-16-27)45-41(48)34-22-20-30(24-36(34)42(45)49)50-29-19-21-33-35(23-29)40(47)44(2)39(33)46;1-17-5-9-23(18(2)13-17)24-12-8-22(14-19(24)3)43-31(46)26-11-7-21(16-28(26)32(43)47)33(34(36,37)38,35(39,40)41)20-6-10-25-27(15-20)30(45)42(4)29(25)44;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/h5-35H,1-4H3,(H,81,82);3-24H,1-2H3;5-16H,1-4H3;3-14H,1-2H3.

What are the key properties of 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione?

5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione has a molecular weight of 3068.89 g/mol, XLogP of 36.23, 27 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-methyl-5-[5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;2-methyl-5-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]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]oxyisoindole-1,3-dione is sourced from PubChem (CID 157297772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).