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

C32H20N2O6 — CID 19737566

IUPAC1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H20N2O6/c35-29-17-18-30(36)33(29)23-5-13-27(14-6-23)39-25-9-1-21(2-10-25)22-3-11-26(12-4-22)40-28-15-7-24(8-16-28)34-31(37)19-20-32(34)38/h1-20H
InChIKeyIDJPOGZRVGCUKC-UHFFFAOYSA-N
MW528.52 g/mol
LogP5.80
Rot. Bonds7

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

1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione (PubChem CID 19737566) has the molecular formula C32H20N2O6 and a molecular weight of 528.52 g/mol. Its IUPAC name is 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
PubChem CID19737566
Molecular FormulaC32H20N2O6
Molecular Weight528.52 g/mol
Exact Mass528.13
IUPAC Name1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H20N2O6/c35-29-17-18-30(36)33(29)23-5-13-27(14-6-23)39-25-9-1-21(2-10-25)22-3-11-26(12-4-22)40-28-15-7-24(8-16-28)34-31(37)19-20-32(34)38/h1-20H
InChIKeyIDJPOGZRVGCUKC-UHFFFAOYSA-N
XLogP5.80
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.52
LogP ≤ 55.80
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-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione (CID 19737566) is 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione?
The InChIKey is IDJPOGZRVGCUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2O6/c35-29-17-18-30(36)33(29)23-5-13-27(14-6-23)39-25-9-1-21(2-10-25)22-3-11-26(12-4-22)40-28-15-7-24(8-16-28)34-31(37)19-20-32(34)38/h1-20H.
What are the key properties of 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione?
1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 528.52 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 19737566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).