5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

C54H33F12N3O8 — CID 167135654

About 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 167135654) has the molecular formula C54H33F12N3O8 and a molecular weight of 1079.85 g/mol. Its IUPAC name is 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
• PubChem CID: 167135654
• Molecular Formula: C54H33F12N3O8
• Molecular Weight: 1079.85 g/mol
• Exact Mass: 1079.21
• IUPAC Name: 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
• SMILES: CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(C(C)(C)c3ccc(Oc5ccc(C(c6ccc(Oc7ccc(N8C(=O)C=CC8=O)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
• InChI: InChI=1S/C54H33F12N3O8/c1-48(2,69-46(74)39-23-11-32(27-41(39)47(69)75)50(53(61,62)63,54(64,65)66)31-10-22-38-40(26-31)45(73)67(3)44(38)72)28-4-14-34(15-5-28)76-35-16-6-29(7-17-35)49(51(55,56)57,52(58,59)60)30-8-18-36(19-9-30)77-37-20-12-33(13-21-37)68-42(70)24-25-43(68)71/h4-27H,1-3H3
• InChIKey: QUTKDZDPUFFAKS-UHFFFAOYSA-N
• XLogP: 12.28
• TPSA: 130.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.85
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The IUPAC name of 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 167135654) is 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.

What is the SMILES notation for 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The canonical SMILES for 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(C(C)(C)c3ccc(Oc5ccc(C(c6ccc(Oc7ccc(N8C(=O)C=CC8=O)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O.

What is the InChIKey of 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The InChIKey is QUTKDZDPUFFAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33F12N3O8/c1-48(2,69-46(74)39-23-11-32(27-41(39)47(69)75)50(53(61,62)63,54(64,65)66)31-10-22-38-40(26-31)45(73)67(3)44(38)72)28-4-14-34(15-5-28)76-35-16-6-29(7-17-35)49(51(55,56)57,52(58,59)60)30-8-18-36(19-9-30)77-37-20-12-33(13-21-37)68-42(70)24-25-43(68)71/h4-27H,1-3H3.

What are the key properties of 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1079.85 g/mol, XLogP of 12.28, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 167135654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).