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

C34H31NO7 — CID 134136295

IUPAC3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1OC
InChIInChI=1S/C34H31NO7/c1-38-27-16-12-24(18-29(27)40-3)31-32(25-13-17-28(39-2)30(19-25)41-4)34(37)35(33(31)36)20-22-10-14-26(15-11-22)42-21-23-8-6-5-7-9-23/h5-19H,20-21H2,1-4H3
InChIKeyUVUYDMYTOZOSJQ-UHFFFAOYSA-N
MW565.62 g/mol
LogP5.78
Rot. Bonds11

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

3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 134136295) has the molecular formula C34H31NO7 and a molecular weight of 565.62 g/mol. Its IUPAC name is 3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID134136295
Molecular FormulaC34H31NO7
Molecular Weight565.62 g/mol
Exact Mass565.21
IUPAC Name3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1OC
InChIInChI=1S/C34H31NO7/c1-38-27-16-12-24(18-29(27)40-3)31-32(25-13-17-28(39-2)30(19-25)41-4)34(37)35(33(31)36)20-22-10-14-26(15-11-22)42-21-23-8-6-5-7-9-23/h5-19H,20-21H2,1-4H3
InChIKeyUVUYDMYTOZOSJQ-UHFFFAOYSA-N
XLogP5.78
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.62
LogP ≤ 55.78
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 3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione (CID 134136295) is 3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione is COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1OC.
What is the InChIKey of 3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is UVUYDMYTOZOSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO7/c1-38-27-16-12-24(18-29(27)40-3)31-32(25-13-17-28(39-2)30(19-25)41-4)34(37)35(33(31)36)20-22-10-14-26(15-11-22)42-21-23-8-6-5-7-9-23/h5-19H,20-21H2,1-4H3.
What are the key properties of 3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione?
3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 565.62 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(3,4-dimethoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 134136295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).