2,5-Bis(3-nitrophenyl)-3,4-diphenylthiophene
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Basic information
- CAS
872177-50-9- Standard SMILES
O=[N+]([O-])c1cccc(-c2sc(-c3cccc([N+](=O)[O-])c3)c(-c3ccccc3)c2-c2ccccc2)c1- InChIKey
QMDGDIZPEBZXQI-UHFFFAOYSA-N- Molecular formula
- C28H18N2O4S
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.09872823
Names & identifiers
- Preferred name
- 2,5-Bis(3-nitrophenyl)-3,4-diphenylthiophene
- IUPAC
- 2,5-bis(3-nitrophenyl)-3,4-diphenylthiophene
- English name
- 2,5-BIS(3-NITROPHENYL)-3,4-DIPHENYLTHIOPHENE
- Molecular formula
- C28H18N2O4S
- Molecular weight
- 478.52
Names & synonyms
2,5-bis(3-nitrophenyl)-3,4-diphenylthiophene872177-50-9DB-364379Thiophene, 2,5-bis(3-nitrophenyl)-3,4-diphenyl-
Database identifiers
- CAS
872177-50-9- PubChem CID
- 23624396
- Nikkaji
- J2.521.341F
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 667
Related reactions
0 records
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Compound notes
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