Basic information
- CAS
104989-09-5- Standard SMILES
Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nnc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)o3)cc2)cc1- InChIKey
PMGNLZYIMYOMOU-UHFFFAOYSA-N- Molecular formula
- C42H36N4O
- Average molar mass
- 612.8 g/mol
- Monoisotopic mass
- 612.28891178
Names & identifiers
- Preferred name
- 4-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(4-methylphenyl)aniline
- IUPAC
- 4-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(4-methylphenyl)aniline
- English name
- BMAPO
- Molecular formula
- C42H36N4O
- Molecular weight
- 612.76
Names & synonyms
104989-09-54-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(4-methylphenyl)anilineSCHEMBL10341190AKOS015914007DB-059254BMAPO2,5-Bis(4-N,N-di-(4-methylphenyl)-aminophenyl)-[1,3,4]oxadiazoleBenzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-bis(4-methylphenyl)-
Database identifiers
- CAS
104989-09-5- PubChem CID
- 20224966
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 795
Physicochemical properties
- Boiling point
- 768.5 · 768.5±70.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- -3.78 · -3.78±0.60(Predicted)
Chemistry & industry
Suppliers1 total
CD Chemical Group Limited+86-13651442114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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