1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione

C32H27N3O3 — CID 3569950

IUPAC1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
SMILESCCC1NC2(C(=O)N(Cc3ccccc3)c3ccccc32)C2C(=O)N(c3cccc4ccccc34)C(=O)C12
InChIInChI=1S/C32H27N3O3/c1-2-24-27-28(30(37)35(29(27)36)25-18-10-14-21-13-6-7-15-22(21)25)32(33-24)23-16-8-9-17-26(23)34(31(32)38)19-20-11-4-3-5-12-20/h3-18,24,27-28,33H,2,19H2,1H3
InChIKeyUSOOSUCQAHQJJY-UHFFFAOYSA-N
MW501.59 g/mol
LogP4.77
Rot. Bonds4

About 1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione

1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione (PubChem CID 3569950) has the molecular formula C32H27N3O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is 1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione.

Molecular Properties

Compound Name1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
PubChem CID3569950
Molecular FormulaC32H27N3O3
Molecular Weight501.59 g/mol
Exact Mass501.21
IUPAC Name1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
SMILESCCC1NC2(C(=O)N(Cc3ccccc3)c3ccccc32)C2C(=O)N(c3cccc4ccccc34)C(=O)C12
InChIInChI=1S/C32H27N3O3/c1-2-24-27-28(30(37)35(29(27)36)25-18-10-14-21-13-6-7-15-22(21)25)32(33-24)23-16-8-9-17-26(23)34(31(32)38)19-20-11-4-3-5-12-20/h3-18,24,27-28,33H,2,19H2,1H3
InChIKeyUSOOSUCQAHQJJY-UHFFFAOYSA-N
XLogP4.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 54.77
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 1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione?
The IUPAC name of 1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione (CID 3569950) is 1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione.
What is the SMILES notation for 1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione?
The canonical SMILES for 1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione is CCC1NC2(C(=O)N(Cc3ccccc3)c3ccccc32)C2C(=O)N(c3cccc4ccccc34)C(=O)C12.
What is the InChIKey of 1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione?
The InChIKey is USOOSUCQAHQJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O3/c1-2-24-27-28(30(37)35(29(27)36)25-18-10-14-21-13-6-7-15-22(21)25)32(33-24)23-16-8-9-17-26(23)34(31(32)38)19-20-11-4-3-5-12-20/h3-18,24,27-28,33H,2,19H2,1H3.
What are the key properties of 1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione?
1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione has a molecular weight of 501.59 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione is sourced from PubChem (CID 3569950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).