Basic information
- CAS
34927-63-4- Standard SMILES
O=C(CCCN1CCCCC1)c1ccc2c(c1)Cc1cc(C(=O)CCCN3CCCCC3)ccc1-2- InChIKey
KQKCWHPANDHXPN-UHFFFAOYSA-N- Molecular formula
- C31H40N2O2
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.30897852
Names & identifiers
- Preferred name
- 1,1'-(9H-Fluorene-2,7-diyl)bis(4-(1-piperidinyl)-1-butanone)
- IUPAC
- 4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9H-fluoren-2-yl]butan-1-one
- English name
- 1,1'-(9H-fluorene-2,7-diyl)bis(4-piperidinobutan-1-one)
- Molecular formula
- C31H40N2O2
- Molecular weight
- 472.66
Names & synonyms
Rmi 1023334927-63-4DTXSID50188483RefChem:906545RMI 10233DADTXCID80110974RMI-10.2331,1'-(9H-Fluorene-2,7-diyl)bis(4-(1-piperidinyl)-1-butanone)252-294-71-Butanone, 1,1'-(9H-fluorene-2,7-diyl)bis(4-(1-piperidinyl)-1-Butanone, 1,1'-(9H-fluorene-2,7-diyl)bis[4-(1-piperidinyl)-1,1'-(9h-fluorene-2,7-diyl)bis[4-(piperidin-1-yl)butan-1-one]
Show more names
2,7-bis[4-(piperidino)butyryl]fluorene1,1'-(9H-Fluorene-2,7-diyl)bis(4-piperidino-1-butanone)
EINECS 252-294-71,1'-(9H-Fluorene-2,7-diyl)bis(4-piperidinobutan-1-one)SCHEMBL11679191KQKCWHPANDHXPN-UHFFFAOYSA-N2,7-bis(4-piperidinobutyryl)fluorene2,7-bis(4-piperidinobutyryl) fluoreneNS000297534-(1-piperidyl)-1-[7-[4-(1-piperidyl)butanoyl]-9H-fluoren-2-yl]butan-1-one
Database identifiers
- CAS
34927-63-4- PubChem CID
- 160241
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 638
Physicochemical properties
- Boiling point
- 659.6 · 659.6±55.0 °C(Predicted)
- Density
- 1.113 · 1.113±0.06 g/cm3(Predicted)
- pka
- 9.56 · 9.56±0.10(Predicted)
Related reactions
12 records
Compound notes
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