3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione

C28H26N2O4 — CID 110549976

IUPAC3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(c3ccc(C)c(C)c3)=C(N3CCc4ccccc43)C2=O)c1
InChIInChI=1S/C28H26N2O4/c1-17-9-10-20(15-18(17)2)25-26(29-14-13-19-7-5-6-8-22(19)29)28(32)30(27(25)31)23-16-21(33-3)11-12-24(23)34-4/h5-12,15-16H,13-14H2,1-4H3
InChIKeyDSPZGVDMHFMIOI-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.67
Rot. Bonds5

About 3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110549976) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110549976
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(c3ccc(C)c(C)c3)=C(N3CCc4ccccc43)C2=O)c1
InChIInChI=1S/C28H26N2O4/c1-17-9-10-20(15-18(17)2)25-26(29-14-13-19-7-5-6-8-22(19)29)28(32)30(27(25)31)23-16-21(33-3)11-12-24(23)34-4/h5-12,15-16H,13-14H2,1-4H3
InChIKeyDSPZGVDMHFMIOI-UHFFFAOYSA-N
XLogP4.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550455
3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579610
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555634
3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110549951
3-(2,3-dihydroindol-1-yl)-4-(3,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110548165
1-(2,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558225
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560752
3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557315
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550216
3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573827
1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110560804
1-(4-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567540

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione (CID 110549976) is 3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione is COc1ccc(OC)c(N2C(=O)C(c3ccc(C)c(C)c3)=C(N3CCc4ccccc43)C2=O)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is DSPZGVDMHFMIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-17-9-10-20(15-18(17)2)25-26(29-14-13-19-7-5-6-8-22(19)29)28(32)30(27(25)31)23-16-21(33-3)11-12-24(23)34-4/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 454.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110549976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).