2'-(3-Chlorobenzylamino)-6'-(dibutylamino)spiro(isobenzofuran-1(3H)-9'(9H)-xanthene)-3-one
Basic information
- CAS
85223-16-1- Standard SMILES
CCCCN(CCCC)c1ccc2c(c1)Oc1ccc(NCc3cccc(Cl)c3)cc1C21OC(=O)c2ccccc21- InChIKey
BRSSMIYUKFFLBS-UHFFFAOYSA-N- Molecular formula
- C35H35ClN2O3
- Average molar mass
- 567.1 g/mol
- Monoisotopic mass
- 566.2336207
Names & identifiers
- Preferred name
- 2'-(3-Chlorobenzylamino)-6'-(dibutylamino)spiro(isobenzofuran-1(3H)-9'(9H)-xanthene)-3-one
- IUPAC
- 2'-[(3-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 2'-(3-chlorobenzylamino)-6'-(dibutylamino)spiro[isobenzofuran-1(3H)-9'[9H]-xanthene]-3-one
- Molecular formula
- C35H35ClN2O3
- Molecular weight
- 567.117
Names & synonyms
EINECS 286-370-685223-16-12'-(3-Chlorobenzylamino)-6'-(dibutylamino)spiro(isobenzofuran-1(3H)-9'(9H)-xanthene)-3-oneBRSSMIYUKFFLBS-UHFFFAOYSA-NDTXSID4010056972'-{[(3-Chlorophenyl)methyl]amino}-6'-(dibutylamino)-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one2'-{[(3-Chlorophenyl)methyl]amino}-6'-(dibutylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one2'-(3-chlorobenzylamino)-6'-(dibutylamino)spiro[isobenzofuran-1(3H)-9'[9H]-xanthene]-3-one2'-[(3-Chlorobenzyl)amino]-6'-(dibutylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
Database identifiers
- CAS
85223-16-1- PubChem CID
- 44145693
- DTXSID
DTXSID401005697- EC Number
- 286-370-6
- Nikkaji
- J333.847I
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 864
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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