Basic information
- CAS
5557-49-3- Standard SMILES
O=c1c2c(cnn1-c1ccccc1)Sc1c(cnn(-c3ccccc3)c1=O)S2- InChIKey
ZGXQGELEHYNGLJ-UHFFFAOYSA-N- Molecular formula
- C20H12N4O2S2
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.04016799
Names & identifiers
- Preferred name
- 2,7-Diphenyl[1,4]dithiino[2,3-d:5,6-d']dipyridazine-1,6(2h,7h)-dione
- IUPAC
- 5,12-diphenyl-2,9-dithia-5,6,12,13-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),6,13-tetraene-4,11-dione
Names & synonyms
5557-49-32,7-diphenyl[1,4]dithiino[2,3-d:5,6-d']dipyridazine-1,6(2h,7h)-dioneNSC69060DTXSID00290505NSC-69060
Database identifiers
- CAS
5557-49-3- PubChem CID
- 250072
- DTXSID
DTXSID00290505
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 752
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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