Basic information
- CAS
72391-19-6- Standard SMILES
CC1=NN(c2ccccc2)C(=O)[C@H]1N=Nc1ccc([C@H](c2ccccc2)c2cc(C)c(N=N[C@@H]3C(=O)N(c4ccccc4)N=C3C)cc2C)cc1C- InChIKey
XGRJBEXJWWZBMV-MXVPUGLGSA-N- Molecular formula
- C42H38N8O2
- Average molar mass
- 686.8 g/mol
- Monoisotopic mass
- 686.31177248
Overview
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Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2,5-dimethylphenyl)phenylmethyl)-2-methylphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-
- IUPAC
- (4S)-4-[[4-[(S)-[2,5-dimethyl-4-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]-phenylmethyl]-2-methylphenyl]diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Names & synonyms
72391-19-63H-Pyrazol-3-one, 4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2,5-dimethylphenyl)phenylmethyl)-2-methylphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-
Database identifiers
- CAS
72391-19-6- PubChem CID
- 3085804
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
0 records
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Compound notes
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