# Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-[ethyl(3-methylbutyl)amino]-

**CAS:** 115392-27-3  
**PubChem CID:** [10298445](https://pubchem.ncbi.nlm.nih.gov/compound/10298445)  
**Molecular formula:** C31H29NO3  
**Molar mass:** 463.6 g/mol  
**IUPAC:** 9'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one  
**SMILES:** `CCN(CCC(C)C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC6=CC=CC=C65`  
**InChIKey:** `GNBILJBACCNEAZ-UHFFFAOYSA-N`  
**InChI:** `InChI=1S/C31H29NO3/c1-4-32(18-17-20(2)3)22-14-15-26-28(19-22)34-27-16-13-21-9-5-6-10-23(21)29(27)31(26)25-12-8-7-11-24(25)30(33)35-31/h5-16,19-20H,4,17-18H2,1-3H3`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| logP (XLogP3) | 7.6 |
| PSA | 38.8 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 35 |

## 3D structure

The molecule contains 64 atoms connected by 69 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/115392-27-3/

## Synonyms

- 115392-27-3
- Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-[ethyl(3-methylbutyl)amino]-
- 9-(Ethyl(3-methylbutyl)amino)spiro(12H-benzo(a)xanthene-12,1'(3'H)isobenzofuran)-3'-one
- Spiro(12H-benzo(a)xanthene-12,1'(3'H)-isobenzofuran)-3'-one, 9-(ethyl(3-methylbutyl)amino)-
- Spiro(12H-benzo(a)xanthene-12,11(3'H)-isobenzofuran)-3'-one, 9-(ethyl(3-methylbutyl)amino)-
- RefChem:888572
- DTXCID401028150
- 601-358-6
- 9-(Ethyl(isopentyl)amino)-3'H-spiro[benzo[a]xanthene-12,1'-isobenzofuran]-3'-one
- RED 500

## Data sources

- [PubChem CID 10298445](https://pubchem.ncbi.nlm.nih.gov/compound/10298445)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=115392-27-3)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=115392-27-3)

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*Last updated: 2026-09-25 · Generator: MOL-GOD v3.12.33*