3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione

C23H19N3O2 — CID 21055186

IUPAC3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCCc1cccc2c(C3=C(c4cccc5cc[nH]c45)C(=O)NC3=O)c[nH]c12
InChIInChI=1S/C23H19N3O2/c1-2-5-13-6-3-8-15-17(12-25-20(13)15)19-18(22(27)26-23(19)28)16-9-4-7-14-10-11-24-21(14)16/h3-4,6-12,24-25H,2,5H2,1H3,(H,26,27,28)
InChIKeyCOSDCOYZGTZWBO-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.17
Rot. Bonds4

About 3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione

3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 21055186) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID21055186
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCCc1cccc2c(C3=C(c4cccc5cc[nH]c45)C(=O)NC3=O)c[nH]c12
InChIInChI=1S/C23H19N3O2/c1-2-5-13-6-3-8-15-17(12-25-20(13)15)19-18(22(27)26-23(19)28)16-9-4-7-14-10-11-24-21(14)16/h3-4,6-12,24-25H,2,5H2,1H3,(H,26,27,28)
InChIKeyCOSDCOYZGTZWBO-UHFFFAOYSA-N
XLogP4.17
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 21055186) is 3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione is CCCc1cccc2c(C3=C(c4cccc5cc[nH]c45)C(=O)NC3=O)c[nH]c12.
What is the InChIKey of 3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is COSDCOYZGTZWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-2-5-13-6-3-8-15-17(12-25-20(13)15)19-18(22(27)26-23(19)28)16-9-4-7-14-10-11-24-21(14)16/h3-4,6-12,24-25H,2,5H2,1H3,(H,26,27,28).
What are the key properties of 3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione?
3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 369.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-7-yl)-4-(7-propyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 21055186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).