Basic information
- CAS
4625-41-6- Standard SMILES
CN(C)C=Cc1c(C#N)c2nc3c(c(-c4ccccc4)c2n1-c1ccccc1)CCC3- InChIKey
RYMSLPLCDUAPMB-UHFFFAOYSA-N- Molecular formula
- C27H24N4
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.20009678
Names & identifiers
- Preferred name
- Agn-PC-0lopkj
- IUPAC
- 5-[2-(dimethylamino)ethenyl]-6,8-diphenyl-2,6-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraene-4-carbonitrile
Names & synonyms
4625-41-6AGN-PC-0LOPKJOprea1_027863DTXSID904110802-[2-(Dimethylamino)ethen-1-yl]-1,8-diphenyl-1,5,6,7-tetrahydrocyclopenta[b]pyrrolo[2,3-e]pyridine-3-carbonitrile
Database identifiers
- CAS
4625-41-6- PubChem CID
- 5221569
- DTXSID
DTXSID90411080
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 681
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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