3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione

C35H33NO8 — CID 134140513

IUPAC3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC
InChIInChI=1S/C35H33NO8/c1-39-26-15-12-24(18-30(26)42-4)32-33(25-13-16-27(40-2)31(19-25)43-5)35(38)36(34(32)37)20-23-11-14-28(29(17-23)41-3)44-21-22-9-7-6-8-10-22/h6-19H,20-21H2,1-5H3
InChIKeyYZDUBBXLDCYCLZ-UHFFFAOYSA-N
MW595.65 g/mol
LogP5.79
Rot. Bonds12

About 3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione

3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 134140513) has the molecular formula C35H33NO8 and a molecular weight of 595.65 g/mol. Its IUPAC name is 3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID134140513
Molecular FormulaC35H33NO8
Molecular Weight595.65 g/mol
Exact Mass595.22
IUPAC Name3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC
InChIInChI=1S/C35H33NO8/c1-39-26-15-12-24(18-30(26)42-4)32-33(25-13-16-27(40-2)31(19-25)43-5)35(38)36(34(32)37)20-23-11-14-28(29(17-23)41-3)44-21-22-9-7-6-8-10-22/h6-19H,20-21H2,1-5H3
InChIKeyYZDUBBXLDCYCLZ-UHFFFAOYSA-N
XLogP5.79
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.65
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione (CID 134140513) is 3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione is COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC.
What is the InChIKey of 3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is YZDUBBXLDCYCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33NO8/c1-39-26-15-12-24(18-30(26)42-4)32-33(25-13-16-27(40-2)31(19-25)43-5)35(38)36(34(32)37)20-23-11-14-28(29(17-23)41-3)44-21-22-9-7-6-8-10-22/h6-19H,20-21H2,1-5H3.
What are the key properties of 3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione?
3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 595.65 g/mol, XLogP of 5.79, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 134140513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).