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

C27H24N2O2 — CID 110573827

IUPAC3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3cccc(C)c3C)C2=O)cc1
InChIInChI=1S/C27H24N2O2/c1-17-11-13-21(14-12-17)24-25(28-16-15-20-8-4-5-9-23(20)28)27(31)29(26(24)30)22-10-6-7-18(2)19(22)3/h4-14H,15-16H2,1-3H3
InChIKeyXYFSQJDXGBSSPJ-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.96
Rot. Bonds3

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

3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110573827) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110573827
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3cccc(C)c3C)C2=O)cc1
InChIInChI=1S/C27H24N2O2/c1-17-11-13-21(14-12-17)24-25(28-16-15-20-8-4-5-9-23(20)28)27(31)29(26(24)30)22-10-6-7-18(2)19(22)3/h4-14H,15-16H2,1-3H3
InChIKeyXYFSQJDXGBSSPJ-UHFFFAOYSA-N
XLogP4.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573345
1-(3-bromophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573315
1-(2,3-dimethylphenyl)-3-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110573815
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573925
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
CID 110570379
3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574158
1-(2,3-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573808
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110547946
1-(2,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545995
3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110579500
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555634

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110573827) is 3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3cccc(C)c3C)C2=O)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is XYFSQJDXGBSSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-17-11-13-21(14-12-17)24-25(28-16-15-20-8-4-5-9-23(20)28)27(31)29(26(24)30)22-10-6-7-18(2)19(22)3/h4-14H,15-16H2,1-3H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 408.50 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110573827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).