# 橙红 (CAS 21934-68-9)

**CAS:** 21934-68-9  
**PubChem CID:** [89556](https://pubchem.ncbi.nlm.nih.gov/compound/89556)  
**Molecular formula:** C26H25NO3  
**Molar mass:** 399.5 g/mol  
**IUPAC:** 6'-(diethylamino)-1',3'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one  
**SMILES:** `CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5O2)C)C`  
**InChIKey:** `XUFBVJQHCCCPNM-UHFFFAOYSA-N`  
**InChI:** `InChI=1S/C26H25NO3/c1-5-27(6-2)18-11-12-21-22(15-18)29-23-14-16(3)13-17(4)24(23)26(21)20-10-8-7-9-19(20)25(28)30-26/h7-15H,5-6H2,1-4H3`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| logP (XLogP3) | 5.7 |
| PSA | 38.8 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 30 |

## 3D structure

The molecule contains 55 atoms connected by 59 chemical bonds. Interactive 3D model available at: https://molgod.org/molekula/21934-68-9/

## Synonyms

- EINECS 244-667-8
- Fluoran, 3'-(diethylamino)-6',8'-dimethyl-
- Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-1',3'-dimethyl-
- 6'-(Diethylamino)-1',3'-dimethylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
- Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-1',3'-dimethyl-
- 6'-(diethylamino)-1',3'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
- RefChem:888782
- DTXCID601024578
- 244-667-8
- 21934-68-9

## Available in the shop

[橙红 (CAS 21934-68-9) — Shenyang Photosensitive Research Institute](https://molgod.org/sds-cards/%e6%a9%99%e7%ba%a2-cas-21934-68-9-shenyang-photosensitive-research-institute/)

## Data sources

- [PubChem CID 89556](https://pubchem.ncbi.nlm.nih.gov/compound/89556)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=21934-68-9)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=21934-68-9)

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