5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione

C34H16F12N2O6 — CID 135291657

About 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione

5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione (PubChem CID 135291657) has the molecular formula C34H16F12N2O6 and a molecular weight of 776.49 g/mol. Its IUPAC name is 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione
• PubChem CID: 135291657
• Molecular Formula: C34H16F12N2O6
• Molecular Weight: 776.49 g/mol
• Exact Mass: 776.08
• IUPAC Name: 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione
• SMILES: O=C1NC(=O)c2cc(C(c3ccc4c(c3)C(=O)N(c3cc(C(c5ccc(O)cc5)(C(F)(F)F)C(F)(F)F)ccc3O)C4=O)(C(F)(F)F)C(F)(F)F)ccc21
• InChI: InChI=1S/C34H16F12N2O6/c35-31(36,37)29(32(38,39)40,14-1-6-18(49)7-2-14)17-5-10-24(50)23(13-17)48-27(53)20-9-4-16(12-22(20)28(48)54)30(33(41,42)43,34(44,45)46)15-3-8-19-21(11-15)26(52)47-25(19)51/h1-13,49-50H,(H,47,51,52)
• InChIKey: WWVVIQNLPDXOOH-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 124.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.49
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione?

The IUPAC name of 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione (CID 135291657) is 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione.

What is the SMILES notation for 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione?

The canonical SMILES for 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione is O=C1NC(=O)c2cc(C(c3ccc4c(c3)C(=O)N(c3cc(C(c5ccc(O)cc5)(C(F)(F)F)C(F)(F)F)ccc3O)C4=O)(C(F)(F)F)C(F)(F)F)ccc21.

What is the InChIKey of 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione?

The InChIKey is WWVVIQNLPDXOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H16F12N2O6/c35-31(36,37)29(32(38,39)40,14-1-6-18(49)7-2-14)17-5-10-24(50)23(13-17)48-27(53)20-9-4-16(12-22(20)28(48)54)30(33(41,42)43,34(44,45)46)15-3-8-19-21(11-15)26(52)47-25(19)51/h1-13,49-50H,(H,47,51,52).

What are the key properties of 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione?

5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione has a molecular weight of 776.49 g/mol, XLogP of 7.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione is sourced from PubChem (CID 135291657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).