1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione

C37H20F10N2O6 — CID 19774363

IUPAC1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H20F10N2O6/c38-33(39,21-1-9-25(10-2-21)54-27-13-5-23(6-14-27)48-29(50)17-18-30(48)51)35(42,43)37(46,47)36(44,45)34(40,41)22-3-11-26(12-4-22)55-28-15-7-24(8-16-28)49-31(52)19-20-32(49)53/h1-20H
InChIKeyVTYXBRGJXOWNND-UHFFFAOYSA-N
MW778.55 g/mol
LogP8.92
Rot. Bonds12

About 1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione

1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione (PubChem CID 19774363) has the molecular formula C37H20F10N2O6 and a molecular weight of 778.55 g/mol. Its IUPAC name is 1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione
PubChem CID19774363
Molecular FormulaC37H20F10N2O6
Molecular Weight778.55 g/mol
Exact Mass778.12
IUPAC Name1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H20F10N2O6/c38-33(39,21-1-9-25(10-2-21)54-27-13-5-23(6-14-27)48-29(50)17-18-30(48)51)35(42,43)37(46,47)36(44,45)34(40,41)22-3-11-26(12-4-22)55-28-15-7-24(8-16-28)49-31(52)19-20-32(49)53/h1-20H
InChIKeyVTYXBRGJXOWNND-UHFFFAOYSA-N
XLogP8.92
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.55
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione (CID 19774363) is 1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione?
The InChIKey is VTYXBRGJXOWNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20F10N2O6/c38-33(39,21-1-9-25(10-2-21)54-27-13-5-23(6-14-27)48-29(50)17-18-30(48)51)35(42,43)37(46,47)36(44,45)34(40,41)22-3-11-26(12-4-22)55-28-15-7-24(8-16-28)49-31(52)19-20-32(49)53/h1-20H.
What are the key properties of 1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione?
1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 778.55 g/mol, XLogP of 8.92, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 19774363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).