Basic information
- CAS
52470-07-2- Standard SMILES
CCN(CC)c1ccc2c(c1)Oc1cc(C)c(Nc3ccc(Cl)cc3)cc1C21OC(=O)c2ccccc21- InChIKey
HAWUKHKOQRPBKD-UHFFFAOYSA-N- Molecular formula
- C31H27ClN2O3
- Average molar mass
- 511 g/mol
- Monoisotopic mass
- 510.1710204
Names & identifiers
- Preferred name
- 2'-((4-Chlorophenyl)amino)-6'-(diethylamino)-3'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
- IUPAC
- 2'-(4-chloroanilino)-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 2'-[(4-chlorophenyl)amino]-6'-(diethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
- Molecular formula
- C31H27ClN2O3
- Molecular weight
- 511.01
Names & synonyms
52470-07-2EINECS 257-940-12'-((4-Chlorophenyl)amino)-6'-(diethylamino)-3'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-oneDTXSID30966908HAWUKHKOQRPBKD-UHFFFAOYSA-NNS000579362'-(4-Chloroanilino)-6'-(diethylamino)-3'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one2'-(4-Chloroanilino)-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one2'-[(4-Chlorophenyl)amino]-6'-(diethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one2'-[(4-chlorophenyl)amino]-6'-(diethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-oneSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2'-[(4-chlorophenyl)amino]-6'-(diethylamino)-3'-methyl-
Database identifiers
- CAS
52470-07-2- PubChem CID
- 103646
- DTXSID
DTXSID30966908- EC Number
- 257-940-1
- Nikkaji
- J295.669A
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 814
Physicochemical properties
- Boiling point
- 689.1 · 689.1±55.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 4.92 · 4.92±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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