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

C27H19N3O2 — CID 5327658

IUPAC3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C27H19N3O2/c1-29-15-20(18-11-5-7-13-22(18)29)24-25(27(32)28-26(24)31)21-16-30(17-9-3-2-4-10-17)23-14-8-6-12-19(21)23/h2-16H,1H3,(H,28,31,32)
InChIKeyLZSMYZZPCOFKOY-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.69
Rot. Bonds3

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

3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327658) has the molecular formula C27H19N3O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327658
Molecular FormulaC27H19N3O2
Molecular Weight417.47 g/mol
Exact Mass417.15
IUPAC Name3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C27H19N3O2/c1-29-15-20(18-11-5-7-13-22(18)29)24-25(27(32)28-26(24)31)21-16-30(17-9-3-2-4-10-17)23-14-8-6-12-19(21)23/h2-16H,1H3,(H,28,31,32)
InChIKeyLZSMYZZPCOFKOY-UHFFFAOYSA-N
XLogP4.69
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione (CID 5327658) is 3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is LZSMYZZPCOFKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O2/c1-29-15-20(18-11-5-7-13-22(18)29)24-25(27(32)28-26(24)31)21-16-30(17-9-3-2-4-10-17)23-14-8-6-12-19(21)23/h2-16H,1H3,(H,28,31,32).
What are the key properties of 3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 417.47 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-(1-phenylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).