Basic information
- CAS
517-83-9- Standard SMILES
Cc1c(-c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C- InChIKey
ANYXUEIQQWKBQV-UHFFFAOYSA-N- Molecular formula
- C22H22N4O2
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.17427596
Names & identifiers
- Preferred name
- Forbisen
- IUPAC
- 4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- [4,4'-Bi-1H-pyrazole]-3,5'(2H,2'H)-dione, 1,2',3',5-tetramethyl-1',2-diphenyl-
- Molecular formula
- C22H22N4O2
- Molecular weight
- 374.44
Names & synonyms
Forbisen517-83-9S. N. 475NSC 14060BRN 0351034QP79EQ89N3NSC-140602,2',3,3'-Tetramethyl-1,1'-diphenyl(4,4'-bi-3-pyrazoline)-5,5'-dioneDTXSID701996524-26-00-02474 (Beilstein Handbook Reference)(4,4'-Bi-3-pyrazoline)-5,5'-dione, 2,2',3,3'-tetramethyl-1,1'-diphenyl-SN-475
Show more names
1,1',5,5'-tetramethyl-2,2'-diphenyl-1H,1'H-4,4'-bipyrazole-3,3'(2H,2'H)-dione1,1',5,5'-tetramethyl-2,2'-diphenyl-1H,1'H-4,4'-bipyrazole-3,3'(2H,2'H)-dione[4,4'-Bi-1H-pyrazole]-3,5'(2H,2'H)-dione, 1,2',3',5-tetramethyl-1',2-diphenyl-
(4,4'-BI-3-PYRAZOLINE)-5,5'-DIONE, 1,1'-DIPHENYL-2,2',3,3'-TETRAMETHYL-(4,4'-Bi-1H-pyrazole)-3,3'-dione, 2,2',3,3'-tetrahydro-1,1',5,5'-tetramethyl-2,2'-diphenyl-(4,4'-BI-1H-PYRAZOLE)-3,5'(2H,2'H)-DIONE, 1,2',3',5-TETRAMETHYL-1',2-DIPHENYL-1,2',3',5-TETRAMETHYL-1',2-DIPHENYL(4,4'-BI-1H-PYRAZOLE)-3,5'(2H,2'H)-DIONE[4,4'-Bi-1H-pyrazole]-3,3'-dione, 2,2',3,3'-tetrahydro-1,1',5,5'-tetramethyl-2,2'-diphenyl-RefChem:141176DTXCID30122143(4,4'-Bi-3-pyrazoline)-5,5'-dione, 2,2',3,3'-tetramethyl-1,1'-diphenyl-(8CI)
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 667
Physicochemical properties
- Boiling point
- 438.6 · 438.6±55.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- pka
- 0.91 · 0.91±0.65(Predicted)
- FDA UNII
- 79 EQ89N3 · QP79EQ89N3
- Toxicity
- 5 mg/kg · LDLo intraperitoneal in mouse: 5mg/kg
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
- Toxicity
- LDLo intraperitoneal in mouse: 5mg/kg
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
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Compound notes
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