3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione

C28H27NO7 — CID 134133478

IUPAC3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3ccccc3)C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC
InChIInChI=1S/C28H27NO7/c1-32-20-12-11-19(15-21(20)33-2)25-24(18-9-7-6-8-10-18)27(30)29(28(25)31)16-17-13-22(34-3)26(36-5)23(14-17)35-4/h6-15H,16H2,1-5H3
InChIKeyOHWWYHLPQBSSIJ-UHFFFAOYSA-N
MW489.52 g/mol
LogP4.21
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione

3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 134133478) has the molecular formula C28H27NO7 and a molecular weight of 489.52 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID134133478
Molecular FormulaC28H27NO7
Molecular Weight489.52 g/mol
Exact Mass489.18
IUPAC Name3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3ccccc3)C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC
InChIInChI=1S/C28H27NO7/c1-32-20-12-11-19(15-21(20)33-2)25-24(18-9-7-6-8-10-18)27(30)29(28(25)31)16-17-13-22(34-3)26(36-5)23(14-17)35-4/h6-15H,16H2,1-5H3
InChIKeyOHWWYHLPQBSSIJ-UHFFFAOYSA-N
XLogP4.21
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione (CID 134133478) is 3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione is COc1ccc(C2=C(c3ccccc3)C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is OHWWYHLPQBSSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO7/c1-32-20-12-11-19(15-21(20)33-2)25-24(18-9-7-6-8-10-18)27(30)29(28(25)31)16-17-13-22(34-3)26(36-5)23(14-17)35-4/h6-15H,16H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione?
3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 489.52 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 134133478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).