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

C28H26N2O3 — CID 110574158

IUPAC3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccc(OC(C)C)cc3)C2=O)cc1
InChIInChI=1S/C28H26N2O3/c1-18(2)33-23-14-12-22(13-15-23)30-27(31)25(21-10-8-19(3)9-11-21)26(28(30)32)29-17-16-20-6-4-5-7-24(20)29/h4-15,18H,16-17H2,1-3H3
InChIKeyNSMFRBXEHDFUBU-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.13
Rot. Bonds5

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

3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110574158) 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-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110574158
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccc(OC(C)C)cc3)C2=O)cc1
InChIInChI=1S/C28H26N2O3/c1-18(2)33-23-14-12-22(13-15-23)30-27(31)25(21-10-8-19(3)9-11-21)26(28(30)32)29-17-16-20-6-4-5-7-24(20)29/h4-15,18H,16-17H2,1-3H3
InChIKeyNSMFRBXEHDFUBU-UHFFFAOYSA-N
XLogP5.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.13
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-(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-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560752
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573345
3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione
CID 110551774
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)-1-methyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575255
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555634
3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577374
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546160
1-(3-bromophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573315

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110574158) is 3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccc(OC(C)C)cc3)C2=O)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is NSMFRBXEHDFUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-18(2)33-23-14-12-22(13-15-23)30-27(31)25(21-10-8-19(3)9-11-21)26(28(30)32)29-17-16-20-6-4-5-7-24(20)29/h4-15,18H,16-17H2,1-3H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 438.53 g/mol, XLogP of 5.13, 5 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-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110574158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).