3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C23H19N3O2 — CID 5327671

IUPAC3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCc1ccc2c(c1)c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C
InChIInChI=1S/C23H19N3O2/c1-13-8-9-19-15(10-13)17(12-26(19)3)21-20(22(27)24-23(21)28)16-11-25(2)18-7-5-4-6-14(16)18/h4-12H,1-3H3,(H,24,27,28)
InChIKeyVEDDMJVAGLMJHD-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.55
Rot. Bonds2

About 3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327671) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327671
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCc1ccc2c(c1)c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C
InChIInChI=1S/C23H19N3O2/c1-13-8-9-19-15(10-13)17(12-26(19)3)21-20(22(27)24-23(21)28)16-11-25(2)18-7-5-4-6-14(16)18/h4-12H,1-3H3,(H,24,27,28)
InChIKeyVEDDMJVAGLMJHD-UHFFFAOYSA-N
XLogP3.55
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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SB 216763
CID 176158
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
CID 5327686
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CID 2403
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1,1'-(9-(2-((1-Methylethyl)amino)ethyl)-9H-carbazole-3,6-diyl)bis(ethanone)
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Slv-310
CID 9888211
Iron oxide, spent
CID 5327711
2-[2-(1H-indol-3-yl)ethyl]-1H-Isoindole-1,3(2H)-dione
CID 288577

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327671) is 3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cc1ccc2c(c1)c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C.
What is the InChIKey of 3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is VEDDMJVAGLMJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-13-8-9-19-15(10-13)17(12-26(19)3)21-20(22(27)24-23(21)28)16-11-25(2)18-7-5-4-6-14(16)18/h4-12H,1-3H3,(H,24,27,28).
What are the key properties of 3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 369.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).