5-(Methylsulfanyl)-1,4,6,7-tetraphenyl-6H-pyrrolo[3,4-d]pyridazine
Basic information
- CAS
61505-61-1- Standard SMILES
CSc1c2c(-c3ccccc3)nnc(-c3ccccc3)c2c(-c2ccccc2)n1-c1ccccc1- InChIKey
RAWWPZXOUKHUGY-UHFFFAOYSA-N- Molecular formula
- C31H23N3S
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 469.16126892
Names & identifiers
- Preferred name
- 5-(Methylsulfanyl)-1,4,6,7-tetraphenyl-6H-pyrrolo[3,4-d]pyridazine
- IUPAC
- 5-methylsulfanyl-1,4,6,7-tetraphenylpyrrolo[3,4-d]pyridazine
Names & synonyms
61505-61-1SCHEMBL4761774DTXSID104936265-(Methylsulfanyl)-1,4,6,7-tetraphenyl-6H-pyrrolo[3,4-d]pyridazine
Database identifiers
- CAS
61505-61-1- PubChem CID
- 12354512
- DTXSID
DTXSID10493626
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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