4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione

C34H18F2N2O6 — CID 18957316

IUPAC4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(F)c5C4=O)cc3)c2)cc1
InChIInChI=1S/C34H18F2N2O6/c35-27-8-2-6-25-29(27)33(41)37(31(25)39)19-10-14-21(15-11-19)43-23-4-1-5-24(18-23)44-22-16-12-20(13-17-22)38-32(40)26-7-3-9-28(36)30(26)34(38)42/h1-18H
InChIKeyHZIPXUHAYQYTEO-UHFFFAOYSA-N
MW588.52 g/mol
LogP7.15
Rot. Bonds6

About 4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione

4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione (PubChem CID 18957316) has the molecular formula C34H18F2N2O6 and a molecular weight of 588.52 g/mol. Its IUPAC name is 4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione
PubChem CID18957316
Molecular FormulaC34H18F2N2O6
Molecular Weight588.52 g/mol
Exact Mass588.11
IUPAC Name4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(F)c5C4=O)cc3)c2)cc1
InChIInChI=1S/C34H18F2N2O6/c35-27-8-2-6-25-29(27)33(41)37(31(25)39)19-10-14-21(15-11-19)43-23-4-1-5-24(18-23)44-22-16-12-20(13-17-22)38-32(40)26-7-3-9-28(36)30(26)34(38)42/h1-18H
InChIKeyHZIPXUHAYQYTEO-UHFFFAOYSA-N
XLogP7.15
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.52
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione (CID 18957316) is 4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione is O=C1c2cccc(F)c2C(=O)N1c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(F)c5C4=O)cc3)c2)cc1.
What is the InChIKey of 4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione?
The InChIKey is HZIPXUHAYQYTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18F2N2O6/c35-27-8-2-6-25-29(27)33(41)37(31(25)39)19-10-14-21(15-11-19)43-23-4-1-5-24(18-23)44-22-16-12-20(13-17-22)38-32(40)26-7-3-9-28(36)30(26)34(38)42/h1-18H.
What are the key properties of 4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione?
4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione has a molecular weight of 588.52 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 18957316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).