3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione

C26H23NO6 — CID 141397575

IUPAC3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione
SMILESCOc1cc(CON2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C26H23NO6/c1-30-20-14-17(15-21(31-2)24(20)32-3)16-33-27-25(28)22(18-10-6-4-7-11-18)23(26(27)29)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3
InChIKeyZDPDXEKXNRWDMV-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.12
Rot. Bonds8

About 3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione

3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione (PubChem CID 141397575) has the molecular formula C26H23NO6 and a molecular weight of 445.47 g/mol. Its IUPAC name is 3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione
PubChem CID141397575
Molecular FormulaC26H23NO6
Molecular Weight445.47 g/mol
Exact Mass445.15
IUPAC Name3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione
SMILESCOc1cc(CON2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C26H23NO6/c1-30-20-14-17(15-21(31-2)24(20)32-3)16-33-27-25(28)22(18-10-6-4-7-11-18)23(26(27)29)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3
InChIKeyZDPDXEKXNRWDMV-UHFFFAOYSA-N
XLogP4.12
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione
CID 141397576
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
triphenyl-[(3,4,5-trimethoxyphenyl)methoxy]silane
CID 71329016
1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110559954
3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 54497717
3-chloro-1-[(3,4-dimethoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110583454
2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one
CID 22432988
(3,4,5-trimethoxyphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 9095643
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
1-(furan-2-ylmethyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110559128
(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7926501
3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid
CID 91360158

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione?
The IUPAC name of 3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione (CID 141397575) is 3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione?
The canonical SMILES for 3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione is COc1cc(CON2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)cc(OC)c1OC.
What is the InChIKey of 3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione?
The InChIKey is ZDPDXEKXNRWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6/c1-30-20-14-17(15-21(31-2)24(20)32-3)16-33-27-25(28)22(18-10-6-4-7-11-18)23(26(27)29)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3.
What are the key properties of 3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione?
3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione has a molecular weight of 445.47 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione is sourced from PubChem (CID 141397575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).