Basic information
- CAS
178-10-9- Standard SMILES
C1=CC2(C=Cc3c(ccc4ccccc34)O2)Oc2ccc3ccccc3c21- InChIKey
XJPKXCFTCNYEKP-UHFFFAOYSA-N- Molecular formula
- C25H16O2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.11502975
Names & identifiers
- Preferred name
- 3,3'-spirobi[3H-naphtho[2,1-b]pyran]
- IUPAC
- 3,3'-spirobi[benzo[f]chromene]
- English name
- 3,3'-spirobi[3H-naphtho[2,1-b]pyran]
- Molecular formula
- C25H16O2
- Molecular weight
- 348.39
Names & synonyms
3,3'-spirobi[benzo[f]chromene]3,3'-Spirobi(3H-naphtho(2,1-b)pyran)EINECS 205-869-1AXW38VL9PS3,3'-Spirobi(benzo(f)chromene)DTXSID501704093,3'-Spirobi[3H-naphtho[2,1-b]pyran]RefChem:90721DTXCID0092900178-10-93,3/'-spirobi[3H-naphtho[2,1-b]pyran]UNII-AXW38VL9PS
Show more names
2,2'-Spirobi[benzo[f]chromene]
SCHEMBL5913910SCHEMBL30612735XJPKXCFTCNYEKP-UHFFFAOYSA-N3,3'-Spirobi[naphtho[2,1-b]pyran]NS00041886
Database identifiers
- CAS
178-10-9- PubChem CID
- 67436
- DTXSID
DTXSID50170409- UNII
- AXW38VL9PS
- EC Number
- 205-869-1
- Nikkaji
- J39.626E
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 568
Physicochemical properties
- Melting point
- 262 °C · 262 °C
- Boiling point
- 593.5 · 593.5±50.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- FDA UNII
- 38 VL9PS · AXW38VL9PS
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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