5-[2-[2-[3-[5-[2-[2-[3-(3,5-ditert-butylphenyl)-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-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione

C98H69F15N6O10 — CID 122551836

About 5-[2-[2-[3-[5-[2-[2-[3-(3,5-ditert-butylphenyl)-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-trifluoro-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-ditert-butylphenyl)-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-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione (PubChem CID 122551836) has the molecular formula C98H69F15N6O10 and a molecular weight of 1775.63 g/mol. Its IUPAC name is 5-[2-[2-[3-[5-[2-[2-[3-(3,5-ditert-butylphenyl)-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-trifluoro-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-ditert-butylphenyl)-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-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione
• PubChem CID: 122551836
• Molecular Formula: C98H69F15N6O10
• Molecular Weight: 1775.63 g/mol
• Exact Mass: 1774.48
• IUPAC Name: 5-[2-[2-[3-[5-[2-[2-[3-(3,5-ditert-butylphenyl)-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-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione
• SMILES: Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4c(C)cc(C)c(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N(c8cccc(-c%10cccc(-c%11nc%12cc(C(C)(c%13ccc%14oc(C)nc%14c%13)C(F)(F)F)ccc%12o%11)c%10)c8)C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)c4C)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1
• InChI: InChI=1S/C98H69F15N6O10/c1-46-31-54(55-35-62(89(6,7)8)39-63(36-55)90(9,10)11)38-65(32-46)117-82(121)67-26-20-59(41-71(67)86(117)125)93(97(108,109)110,98(111,112)113)61-22-28-69-73(43-61)88(127)119(84(69)123)79-48(3)33-47(2)78(49(79)4)118-83(122)68-27-21-60(42-72(68)87(118)126)92(95(102,103)104,96(105,106)107)58-19-25-66-70(40-58)85(124)116(81(66)120)64-18-14-16-52(37-64)51-15-13-17-53(34-51)80-115-75-45-57(24-30-77(75)129-80)91(12,94(99,100)101)56-23-29-76-74(44-56)114-50(5)128-76/h13-45H,1-12H3
• InChIKey: YKTUHHZJDDNTNY-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 201.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1775.63
LogP ≤ 5	24.00
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-ditert-butylphenyl)-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-trifluoro-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-ditert-butylphenyl)-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-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione (CID 122551836) is 5-[2-[2-[3-[5-[2-[2-[3-(3,5-ditert-butylphenyl)-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-trifluoro-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-ditert-butylphenyl)-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-trifluoro-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-ditert-butylphenyl)-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-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]isoindole-1,3-dione is Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4c(C)cc(C)c(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N(c8cccc(-c%10cccc(-c%11nc%12cc(C(C)(c%13ccc%14oc(C)nc%14c%13)C(F)(F)F)ccc%12o%11)c%10)c8)C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)c4C)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1.

What is the InChIKey of 5-[2-[2-[3-[5-[2-[2-[3-(3,5-ditert-butylphenyl)-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-trifluoro-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 YKTUHHZJDDNTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H69F15N6O10/c1-46-31-54(55-35-62(89(6,7)8)39-63(36-55)90(9,10)11)38-65(32-46)117-82(121)67-26-20-59(41-71(67)86(117)125)93(97(108,109)110,98(111,112)113)61-22-28-69-73(43-61)88(127)119(84(69)123)79-48(3)33-47(2)78(49(79)4)118-83(122)68-27-21-60(42-72(68)87(118)126)92(95(102,103)104,96(105,106)107)58-19-25-66-70(40-58)85(124)116(81(66)120)64-18-14-16-52(37-64)51-15-13-17-53(34-51)80-115-75-45-57(24-30-77(75)129-80)91(12,94(99,100)101)56-23-29-76-74(44-56)114-50(5)128-76/h13-45H,1-12H3.

What are the key properties of 5-[2-[2-[3-[5-[2-[2-[3-(3,5-ditert-butylphenyl)-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-trifluoro-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-ditert-butylphenyl)-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-trifluoro-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 1775.63 g/mol, XLogP of 24.00, 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-ditert-butylphenyl)-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-trifluoro-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 122551836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).