1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione

C26H15FN2O4 — CID 138493669

IUPAC1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(-c2ccc(-c3ccc(N4C(=O)C=CC4=O)cc3F)cc2)cc1
InChIInChI=1S/C26H15FN2O4/c27-22-15-20(29-25(32)13-14-26(29)33)9-10-21(22)18-3-1-16(2-4-18)17-5-7-19(8-6-17)28-23(30)11-12-24(28)31/h1-15H
InChIKeyRBBTWLGJIIATOD-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.02
Rot. Bonds4

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

1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione (PubChem CID 138493669) has the molecular formula C26H15FN2O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione
PubChem CID138493669
Molecular FormulaC26H15FN2O4
Molecular Weight438.41 g/mol
Exact Mass438.10
IUPAC Name1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(-c2ccc(-c3ccc(N4C(=O)C=CC4=O)cc3F)cc2)cc1
InChIInChI=1S/C26H15FN2O4/c27-22-15-20(29-25(32)13-14-26(29)33)9-10-21(22)18-3-1-16(2-4-18)17-5-7-19(8-6-17)28-23(30)11-12-24(28)31/h1-15H
InChIKeyRBBTWLGJIIATOD-UHFFFAOYSA-N
XLogP4.02
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione
CID 145389647
1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione
CID 153418506
1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 139363924
1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 19737566
1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione
CID 153418521
1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 67016587
1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
CID 2783302
1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione
CID 155460089
1-(3-phenylphenyl)pyrrole-2,5-dione
CID 930984
3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione
CID 24952429
11,31,45,55-tetrafluoroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 140924255
1-(4-silylphenyl)pyrrole-2,5-dione
CID 151993924

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione (CID 138493669) is 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(-c2ccc(-c3ccc(N4C(=O)C=CC4=O)cc3F)cc2)cc1.
What is the InChIKey of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione?
The InChIKey is RBBTWLGJIIATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15FN2O4/c27-22-15-20(29-25(32)13-14-26(29)33)9-10-21(22)18-3-1-16(2-4-18)17-5-7-19(8-6-17)28-23(30)11-12-24(28)31/h1-15H.
What are the key properties of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione?
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione has a molecular weight of 438.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 138493669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).