1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione

C32H20N2O6 — CID 139662609

IUPAC1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione
SMILESO=C(C=Cc1ccc(C=CC(=O)c2ccccc2N2C(=O)C=CC2=O)cc1)c1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C32H20N2O6/c35-27(23-5-1-3-7-25(23)33-29(37)17-18-30(33)38)15-13-21-9-11-22(12-10-21)14-16-28(36)24-6-2-4-8-26(24)34-31(39)19-20-32(34)40/h1-20H
InChIKeyAOMQMNSDASINAC-UHFFFAOYSA-N
MW528.52 g/mol
LogP4.34
Rot. Bonds8

About 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione

1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione (PubChem CID 139662609) has the molecular formula C32H20N2O6 and a molecular weight of 528.52 g/mol. Its IUPAC name is 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione
PubChem CID139662609
Molecular FormulaC32H20N2O6
Molecular Weight528.52 g/mol
Exact Mass528.13
IUPAC Name1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione
SMILESO=C(C=Cc1ccc(C=CC(=O)c2ccccc2N2C(=O)C=CC2=O)cc1)c1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C32H20N2O6/c35-27(23-5-1-3-7-25(23)33-29(37)17-18-30(33)38)15-13-21-9-11-22(12-10-21)14-16-28(36)24-6-2-4-8-26(24)34-31(39)19-20-32(34)40/h1-20H
InChIKeyAOMQMNSDASINAC-UHFFFAOYSA-N
XLogP4.34
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]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

Related Compounds

(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 127260328
1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25861
1-[4-[4-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]butyl]phenyl]pyrrole-2,5-dione
CID 22026888
1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one
CID 142713013
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792
(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 10399428
2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]benzoate
CID 42485639
(E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 116605809
(E)-3-(4-bromophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359486
3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919
2-[(E)-3-[4-(N-phenylanilino)phenyl]prop-2-enoyl]benzaldehyde
CID 173476667

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione (CID 139662609) is 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione is O=C(C=Cc1ccc(C=CC(=O)c2ccccc2N2C(=O)C=CC2=O)cc1)c1ccccc1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione?
The InChIKey is AOMQMNSDASINAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2O6/c35-27(23-5-1-3-7-25(23)33-29(37)17-18-30(33)38)15-13-21-9-11-22(12-10-21)14-16-28(36)24-6-2-4-8-26(24)34-31(39)19-20-32(34)40/h1-20H.
What are the key properties of 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione?
1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione has a molecular weight of 528.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[4-[3-[2-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 139662609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).