Basic information
- CAS
85391-02-2- Standard SMILES
CCCCN(CCCC)c1ccc2c(c1)Oc1ccc3ccccc3c1C21OC(=O)c2ccccc21- InChIKey
PJHKDRUZMMAVQZ-UHFFFAOYSA-N- Molecular formula
- C32H31NO3
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.23039385
Names & identifiers
- Preferred name
- 9-(dibutylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one
- IUPAC
- 9'-(dibutylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
Names & synonyms
85391-02-2EINECS 286-754-39-(Dibutylamino)spiro(12H-benzo(a)xanthene-12,1'(3'H)-isobenzofuran)-3'-one9-(Dibutylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-oneRefChem:107701286-754-3PJHKDRUZMMAVQZ-UHFFFAOYSA-NDTXSID401005847NS000639739'-(Dibutylamino)-3H-spiro[[2]benzofuran-1,12'-benzo[a]xanthen]-3-one9'-(Dibutylamino)-3H-spiro[2-benzofuran-1,12'-benzo[a]xanthen]-3-one
Database identifiers
- CAS
85391-02-2- PubChem CID
- 57354584
- DTXSID
DTXSID401005847- EC Number
- 286-754-3
- Nikkaji
- J310.326I
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 762
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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