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

C26H22N2O4 — CID 19077999

IUPAC1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(C2(c3ccc(N4C(=O)C=CC4=O)cc3)CCCCC2)cc1
InChIInChI=1S/C26H22N2O4/c29-22-12-13-23(30)27(22)20-8-4-18(5-9-20)26(16-2-1-3-17-26)19-6-10-21(11-7-19)28-24(31)14-15-25(28)32/h4-15H,1-3,16-17H2
InChIKeyKAGMLONEWKJZSB-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.80
Rot. Bonds4

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

1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione (PubChem CID 19077999) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione
PubChem CID19077999
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(C2(c3ccc(N4C(=O)C=CC4=O)cc3)CCCCC2)cc1
InChIInChI=1S/C26H22N2O4/c29-22-12-13-23(30)27(22)20-8-4-18(5-9-20)26(16-2-1-3-17-26)19-6-10-21(11-7-19)28-24(31)14-15-25(28)32/h4-15H,1-3,16-17H2
InChIKeyKAGMLONEWKJZSB-UHFFFAOYSA-N
XLogP3.80
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione (CID 19077999) is 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(C2(c3ccc(N4C(=O)C=CC4=O)cc3)CCCCC2)cc1.
What is the InChIKey of 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione?
The InChIKey is KAGMLONEWKJZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c29-22-12-13-23(30)27(22)20-8-4-18(5-9-20)26(16-2-1-3-17-26)19-6-10-21(11-7-19)28-24(31)14-15-25(28)32/h4-15H,1-3,16-17H2.
What are the key properties of 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione?
1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione has a molecular weight of 426.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 19077999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).