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

CAS: 115392-27-3
PubChem CID: 10298445
InChIKey: GNBILJBACCNEAZ-UHFFFAOYSA-N
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
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
logP (XLogP3): 7.6
PSA: 38.8 A^2
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 35
3D structure: 64 atoms, 69 bonds

## About the compound

Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-[ethyl(3-methylbutyl)amino]- is a chemical compound registered under CAS number 115392-27-3. Molecular formula: C31H29NO3. Molar mass: 463.6 g/mol. The full systematic IUPAC name is: 9'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one. The molecule contains 64 atoms connected by 69 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton 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
  - 9'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
  - C31H29NO3

## 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
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