AE-018/31863049
Basic information
- CAS
15775-87-8- Standard SMILES
O=C(CC(CC(=O)c1ccccc1)c1ccc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1)c1ccccc1- InChIKey
JKCHWZHCGSLJSM-UHFFFAOYSA-N- Molecular formula
- C40H34O4
- Average molar mass
- 578.7 g/mol
- Monoisotopic mass
- 578.24570956
Names & identifiers
- Preferred name
- AE-018/31863049
- IUPAC
- 3-[4-(1,5-dioxo-1,5-diphenylpentan-3-yl)phenyl]-1,5-diphenylpentane-1,5-dione
- English name
- 3-{4-[3-oxo-1-(2-oxo-2-phenylethyl)-3-phenylpropyl]phenyl}-1,5-diphenyl-1,5-pentanedione
- Molecular formula
- C40H34O4
- Molecular weight
- 578.7
Names & synonyms
15775-87-8DTXSID10391234AE-018/31863049RefChem:317313DTXCID203420953-[4-(1,5-dioxo-1,5-diphenylpentan-3-yl)phenyl]-1,5-diphenylpentane-1,5-dione1,5-Pentanedione, 3,3'-(1,4-phenylene)bis[1,5-diphenyl-3,3'-(1,4-Phenylene)bis(1,5-diphenyl-1,5-pentanedione)MFCD009614433,3'-(1,4-Phenylene)bis(1,5-diphenylpentane-1,5-dione)3,3-(1,4-PHENYLENE)BIS(1,5-DIPHENYL-1,5-PENTANEDIONE)SCHEMBL8431654
Show more names
3,3’-(1,4-Phenylene)bis(1,5-diphenyl-1,5-pentanedione)3-{4-[3-oxo-1-(2-oxo-2-phenylethyl)-3-phenylpropyl]phenyl}-1,5-diphenyl-1,5-pentanedione
JKCHWZHCGSLJSM-UHFFFAOYSA-NC40H34O4AC45483,3 inverted exclamation mark -(1,4-Phenylene)bis(1,5-diphenyl-1,5-pentanedione)SY224499CS-04474661,4-bis(1,5-dioxo-1,5-diphenylpentan-3-yl)benzene1,5-Pentanedione,3,3'-(1,4-phenylene)bis[1,5-diphenyl-
Database identifiers
- CAS
15775-87-8- PubChem CID
- 3301951
- DTXSID
DTXSID10391234- Nikkaji
- J3.158.987H
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 781
Physicochemical properties
- Melting point
- 187 °C · 187 °C(Solv: benzene (71-43-2))
- Boiling point
- 753.8 · 753.8±60.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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