3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione

C28H26N2O3 — CID 110551774

IUPAC3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione
SMILESCC(C)COc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C28H26N2O3/c1-19(2)18-33-23-14-12-21(13-15-23)25-26(29-17-16-20-8-6-7-11-24(20)29)28(32)30(27(25)31)22-9-4-3-5-10-22/h3-15,19H,16-18H2,1-2H3
InChIKeyINAVZHPBOZDBMN-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.07
Rot. Bonds6

About 3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione (PubChem CID 110551774) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione
PubChem CID110551774
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione
SMILESCC(C)COc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C28H26N2O3/c1-19(2)18-33-23-14-12-21(13-15-23)25-26(29-17-16-20-8-6-7-11-24(20)29)28(32)30(27(25)31)22-9-4-3-5-10-22/h3-15,19H,16-18H2,1-2H3
InChIKeyINAVZHPBOZDBMN-UHFFFAOYSA-N
XLogP5.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560752
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574158
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546160
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577374
4-[3-(2,3-dihydroindol-1-yl)-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzonitrile
CID 110577696
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)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573925
3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557315
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574156
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-phenylpyrrole-2,5-dione
CID 110558734
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110547250

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione (CID 110551774) is 3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione is CC(C)COc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione?
The InChIKey is INAVZHPBOZDBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-19(2)18-33-23-14-12-21(13-15-23)25-26(29-17-16-20-8-6-7-11-24(20)29)28(32)30(27(25)31)22-9-4-3-5-10-22/h3-15,19H,16-18H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione has a molecular weight of 438.53 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110551774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).