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

C26H16N2O6 — CID 22155630

IUPAC1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(Oc2ccc(Oc3cccc(N4C(=O)C=CC4=O)c3)cc2)c1
InChIInChI=1S/C26H16N2O6/c29-23-11-12-24(30)27(23)17-3-1-5-21(15-17)33-19-7-9-20(10-8-19)34-22-6-2-4-18(16-22)28-25(31)13-14-26(28)32/h1-16H
InChIKeyBCQKTPFUJSMSRL-UHFFFAOYSA-N
MW452.42 g/mol
LogP4.13
Rot. Bonds6

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

1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione (PubChem CID 22155630) has the molecular formula C26H16N2O6 and a molecular weight of 452.42 g/mol. Its IUPAC name is 1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
PubChem CID22155630
Molecular FormulaC26H16N2O6
Molecular Weight452.42 g/mol
Exact Mass452.10
IUPAC Name1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(Oc2ccc(Oc3cccc(N4C(=O)C=CC4=O)c3)cc2)c1
InChIInChI=1S/C26H16N2O6/c29-23-11-12-24(30)27(23)17-3-1-5-21(15-17)33-19-7-9-20(10-8-19)34-22-6-2-4-18(16-22)28-25(31)13-14-26(28)32/h1-16H
InChIKeyBCQKTPFUJSMSRL-UHFFFAOYSA-N
XLogP4.13
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 54.13
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 1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione (CID 22155630) is 1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cccc(Oc2ccc(Oc3cccc(N4C(=O)C=CC4=O)c3)cc2)c1.
What is the InChIKey of 1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione?
The InChIKey is BCQKTPFUJSMSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O6/c29-23-11-12-24(30)27(23)17-3-1-5-21(15-17)33-19-7-9-20(10-8-19)34-22-6-2-4-18(16-22)28-25(31)13-14-26(28)32/h1-16H.
What are the key properties of 1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione?
1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 452.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 22155630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).