3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate

C70H60F12N4O11 — CID 87172353

About 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate

3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate (PubChem CID 87172353) has the molecular formula C70H60F12N4O11 and a molecular weight of 1361.24 g/mol. Its IUPAC name is 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate.

Molecular Properties

• Compound Name: 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate
• PubChem CID: 87172353
• Molecular Formula: C70H60F12N4O11
• Molecular Weight: 1361.24 g/mol
• Exact Mass: 1360.41
• IUPAC Name: 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate
• SMILES: Cc1cc(C)c(C(C)(C)C(C)(C)N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4ccc(C(C)C)c(C(=O)OCCCO)c4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c(C)c1N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
• InChI: InChI=1S/C70H60F12N4O11/c1-32(2)41-23-18-40(31-50(41)61(96)97-25-13-24-87)83-53(88)42-19-14-36(27-46(42)55(83)90)65(67(71,72)73,68(74,75)76)39-17-22-45-49(30-39)60(95)86(58(45)93)64(11,12)63(9,10)51-33(3)26-34(4)52(35(51)5)84-54(89)43-20-15-37(28-47(43)56(84)91)66(69(77,78)79,70(80,81)82)38-16-21-44-48(29-38)59(94)85(57(44)92)62(6,7)8/h14-23,26-32,87H,13,24-25H2,1-12H3
• InChIKey: FSLJGRYFMVTFGK-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 196.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1361.24
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate?

The IUPAC name of 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate (CID 87172353) is 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate.

What is the SMILES notation for 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate?

The canonical SMILES for 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate is Cc1cc(C)c(C(C)(C)C(C)(C)N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4ccc(C(C)C)c(C(=O)OCCCO)c4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c(C)c1N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O.

What is the InChIKey of 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate?

The InChIKey is FSLJGRYFMVTFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H60F12N4O11/c1-32(2)41-23-18-40(31-50(41)61(96)97-25-13-24-87)83-53(88)42-19-14-36(27-46(42)55(83)90)65(67(71,72)73,68(74,75)76)39-17-22-45-49(30-39)60(95)86(58(45)93)64(11,12)63(9,10)51-33(3)26-34(4)52(35(51)5)84-54(89)43-20-15-37(28-47(43)56(84)91)66(69(77,78)79,70(80,81)82)38-16-21-44-48(29-38)59(94)85(57(44)92)62(6,7)8/h14-23,26-32,87H,13,24-25H2,1-12H3.

What are the key properties of 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate?

3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate has a molecular weight of 1361.24 g/mol, XLogP of 14.44, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxypropyl 5-[5-[2-[2-[3-[3-[5-[2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]-2,3-dimethylbutan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-propan-2-ylbenzoate is sourced from PubChem (CID 87172353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).