2-[2-(4-Diphenylaminophenylamino)ethyl]-6-{2-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)phenylamino]ethylamino}-benzo[de]isoquinoline-1,3-dione
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Basic information
- CAS
203871-17-4- Standard SMILES
O=C1c2cccc3c(NCCNc4ccc(-c5nnc(-c6ccccc6)o5)cc4)ccc(c23)C(=O)N1CCNc1ccc(N(c2ccccc2)c2ccccc2)cc1- InChIKey
ORZISJNCAZMGGH-UHFFFAOYSA-N- Molecular formula
- C48H39N7O3
- Average molar mass
- 761.9 g/mol
Names & identifiers
- Preferred name
- 2-[2-(4-Diphenylaminophenylamino)ethyl]-6-{2-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)phenylamino]ethylamino}-benzo[de]isoquinoline-1,3-dione
- IUPAC
- 2-[2-[4-(N-phenylanilino)anilino]ethyl]-6-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]ethylamino]benzo[de]isoquinoline-1,3-dione
- English name
- 2-2-(4-Diphenylaminophenylamino)ethyl-6-{2-4-(5-phenyl-1,3,4oxadiazol-2-yl)-phenylaminoethylamino}-benzodeisoquinoline-1,3-dione
- Molecular formula
- C48H39N7O3
- Molecular weight
- 761.87
Names & synonyms
2-[2-(4-diphenylaminophenylamino)ethyl]-6-{2-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)phenylamino]ethylamino}-benzo[de]isoquinoline-1,3-dione2-[2-[4-(N-phenylanilino)anilino]ethyl]-6-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]ethylamino]benzo[de]isoquinoline-1,3-dione203871-17-42-2-(4-Diphenylaminophenylamino)ethyl-6-{2-4-(5-phenyl-1,3,4oxadiazol-2-yl)-phenylaminoethylamino}-benzodeisoquinoline-1,3-dione1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-[[4-(diphenylamino)phenyl]amino]ethyl]-6-[[2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]amino]ethyl]amino]-
Database identifiers
- CAS
203871-17-4- Nikkaji
- J927.878H
Properties
Computed structural propertiesFilling in
- XLogP
- 9.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,280
Physicochemical properties
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 5.42 · 5.42±0.50(Predicted)
Related reactions
0 records
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Compound notes
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