# 朱红 (CAS 117342-26-4)

**CAS:** 117342-26-4  
**PubChem CID:** [9958312](https://pubchem.ncbi.nlm.nih.gov/compound/9958312)  
**Molecular formula:** C29H30BrNO3  
**Molar mass:** 520.5 g/mol  
**IUPAC:** 2'-bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one  
**SMILES:** `CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)Br)C`  
**InChIKey:** `XUPLAFJEGMCRDR-UHFFFAOYSA-N`  
**InChI:** `InChI=1S/C29H30BrNO3/c1-4-6-14-31(15-7-5-2)20-12-13-23-27(17-20)33-26-16-19(3)25(30)18-24(26)29(23)22-11-9-8-10-21(22)28(32)34-29/h8-13,16-18H,4-7,14-15H2,1-3H3`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| logP (XLogP3) | 7.8 |
| PSA | 38.8 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 34 |

## 3D structure

The molecule contains 64 atoms connected by 68 chemical bonds. Interactive 3D model available at: https://molgod.org/molekula/117342-26-4/

## Synonyms

- 117342-26-4
- SCHEMBL27083121
- SCHEMBL29882971
- XUPLAFJEGMCRDR-UHFFFAOYSA-N
- 2'-Bromo-6'-(dibutylamino)-3'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
- 2a(2)-Bromo-6a(2)-(dibutylamino)-3a(2)-methylspiro[isobenzofuran-1(3H),9a(2)-[9H]xanthen]-3-one

## Available in the shop

[朱红 (CAS 117342-26-4) — Shenyang Photosensitive Research Institute](https://molgod.org/sds-cards/%e6%9c%b1%e7%ba%a2-cas-117342-26-4-shenyang-photosensitive-research-institute/)

## Data sources

- [PubChem CID 9958312](https://pubchem.ncbi.nlm.nih.gov/compound/9958312)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=117342-26-4)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=117342-26-4)

---

*Last updated: 2026-09-02 · Generator: MOL-GOD v3.12.33*