1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione

C31H20FNO3 — CID 141397588

IUPAC1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccc3ccccc3c2)=C(c2ccc3ccccc3c2)C(=O)N1OCc1ccc(F)cc1
InChIInChI=1S/C31H20FNO3/c32-27-15-9-20(10-16-27)19-36-33-30(34)28(25-13-11-21-5-1-3-7-23(21)17-25)29(31(33)35)26-14-12-22-6-2-4-8-24(22)18-26/h1-18H,19H2
InChIKeyBALOODFDTRYWDQ-UHFFFAOYSA-N
MW473.50 g/mol
LogP6.54
Rot. Bonds5

About 1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione

1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione (PubChem CID 141397588) has the molecular formula C31H20FNO3 and a molecular weight of 473.50 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione
PubChem CID141397588
Molecular FormulaC31H20FNO3
Molecular Weight473.50 g/mol
Exact Mass473.14
IUPAC Name1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccc3ccccc3c2)=C(c2ccc3ccccc3c2)C(=O)N1OCc1ccc(F)cc1
InChIInChI=1S/C31H20FNO3/c32-27-15-9-20(10-16-27)19-36-33-30(34)28(25-13-11-21-5-1-3-7-23(21)17-25)29(31(33)35)26-14-12-22-6-2-4-8-24(22)18-26/h1-18H,19H2
InChIKeyBALOODFDTRYWDQ-UHFFFAOYSA-N
XLogP6.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1472536
(4Z)-4-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 19674644
(2,5-dioxo-3,4-diphenylpyrrol-1-yl) (4-fluorophenyl)methanesulfonate
CID 175382108
2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 21138805
(4-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 977864
2-[(4-octoxyphenyl)methoxy]isoindole-1,3-dione
CID 19969096
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
N-[2-(4-fluorophenyl)ethyl]-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497514
2-(2,4-difluorophenyl)naphthalene
CID 57155988
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-(phosphorosooxymethyl)naphthalene
CID 69098049
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione (CID 141397588) is 1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione is O=C1C(c2ccc3ccccc3c2)=C(c2ccc3ccccc3c2)C(=O)N1OCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione?
The InChIKey is BALOODFDTRYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20FNO3/c32-27-15-9-20(10-16-27)19-36-33-30(34)28(25-13-11-21-5-1-3-7-23(21)17-25)29(31(33)35)26-14-12-22-6-2-4-8-24(22)18-26/h1-18H,19H2.
What are the key properties of 1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione?
1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione has a molecular weight of 473.50 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 141397588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).