5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione

C92H54F18N6O10 — CID 122552263

About 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione

5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione (PubChem CID 122552263) has the molecular formula C92H54F18N6O10 and a molecular weight of 1745.44 g/mol. Its IUPAC name is 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione
• PubChem CID: 122552263
• Molecular Formula: C92H54F18N6O10
• Molecular Weight: 1745.44 g/mol
• Exact Mass: 1744.36
• IUPAC Name: 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione
• SMILES: Cc1cc(C)cc(-c2cc(C)cc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5c(C)cc(C)c(N7C(=O)c8ccc(C(c9ccc%10c(c9)C(=O)N(c9cccc(-c%11cccc(-c%12nc%13cc(C(c%14ccc%15oc(C)nc%15c%14)(C(F)(F)F)C(F)(F)F)ccc%13o%12)c%11)c9)C%10=O)(C(F)(F)F)C(F)(F)F)cc8C7=O)c5C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)c1
• InChI: InChI=1S/C92H54F18N6O10/c1-41-26-42(2)28-51(27-41)52-29-43(3)30-60(34-52)114-77(118)62-21-15-54(36-66(62)81(114)122)85(89(99,100)101,90(102,103)104)56-17-23-64-68(38-56)83(124)116(79(64)120)74-45(5)31-44(4)73(46(74)6)115-78(119)63-22-16-55(37-67(63)82(115)123)84(87(93,94)95,88(96,97)98)53-14-20-61-65(35-53)80(121)113(76(61)117)59-13-9-11-49(33-59)48-10-8-12-50(32-48)75-112-70-40-58(19-25-72(70)126-75)86(91(105,106)107,92(108,109)110)57-18-24-71-69(39-57)111-47(7)125-71/h8-40H,1-7H3
• InChIKey: ZCDYILGTRSXOID-UHFFFAOYSA-N
• XLogP: 22.56
• TPSA: 201.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.44
LogP ≤ 5	22.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione?

The IUPAC name of 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione (CID 122552263) is 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione.

What is the SMILES notation for 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione?

The canonical SMILES for 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione is Cc1cc(C)cc(-c2cc(C)cc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5c(C)cc(C)c(N7C(=O)c8ccc(C(c9ccc%10c(c9)C(=O)N(c9cccc(-c%11cccc(-c%12nc%13cc(C(c%14ccc%15oc(C)nc%15c%14)(C(F)(F)F)C(F)(F)F)ccc%13o%12)c%11)c9)C%10=O)(C(F)(F)F)C(F)(F)F)cc8C7=O)c5C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)c1.

What is the InChIKey of 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione?

The InChIKey is ZCDYILGTRSXOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54F18N6O10/c1-41-26-42(2)28-51(27-41)52-29-43(3)30-60(34-52)114-77(118)62-21-15-54(36-66(62)81(114)122)85(89(99,100)101,90(102,103)104)56-17-23-64-68(38-56)83(124)116(79(64)120)74-45(5)31-44(4)73(46(74)6)115-78(119)63-22-16-55(37-67(63)82(115)123)84(87(93,94)95,88(96,97)98)53-14-20-61-65(35-53)80(121)113(76(61)117)59-13-9-11-49(33-59)48-10-8-12-50(32-48)75-112-70-40-58(19-25-72(70)126-75)86(91(105,106)107,92(108,109)110)57-18-24-71-69(39-57)111-47(7)125-71/h8-40H,1-7H3.

What are the key properties of 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione?

5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione has a molecular weight of 1745.44 g/mol, XLogP of 22.56, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[3-[5-[2-[2-[3-(3,5-dimethylphenyl)-5-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 122552263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).