Basic information
- CAS
547750-81-2- Standard SMILES
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(N=Nc2ccccc2)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1- InChIKey
ULXJUIVVKMLUIJ-UHFFFAOYSA-N- Molecular formula
- C42H36N4O2
- Average molar mass
- 628.8 g/mol
- Monoisotopic mass
- 628.2838264
Names & identifiers
- Preferred name
- Benzenepropanamide, N,N'-[4-(phenylazo)-1,3-phenylene]bis[beta-phenyl-(9CI)
- IUPAC
- N-[3-(3,3-diphenylpropanoylamino)-4-phenyldiazenylphenyl]-3,3-diphenylpropanamide
Names & synonyms
DTXSID801040550AKOS003876646547750-81-2Benzenepropanamide, N,N'-[4-(phenylazo)-1,3-phenylene]bis[.beta.-phenyl- (9CI)
Database identifiers
- CAS
547750-81-2- PubChem CID
- 4601428
- DTXSID
DTXSID801040550
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 950
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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