Basic information
- CAS
40120-04-5- Standard SMILES
O=C1CC2(C(=O)N1c1ccccc1)C1C(=O)N(c3ccccc3)C(=O)C1C1C3C(=CCC4C(=O)N(c5ccccc5)C(=O)C43)C=CN12- InChIKey
JYAPBQRSYOBSDE-UHFFFAOYSA-N- Molecular formula
- C37H28N4O6
- Average molar mass
- 624.6 g/mol
- Monoisotopic mass
- 624.20088463
Names & identifiers
- Preferred name
- 1',5,17-Triphenylspiro[5,9,17-triazapentacyclo[10.7.0.02,9.03,7.015,19]nonadeca-10,12-diene-8,3'-pyrrolidine]-2',4,5',6,16,18-hexone
- IUPAC
- 1',5,17-triphenylspiro[5,9,17-triazapentacyclo[10.7.0.02,9.03,7.015,19]nonadeca-10,12-diene-8,3'-pyrrolidine]-2',4,5',6,16,18-hexone
Names & synonyms
NSC19298740120-04-5DTXSID70307573NSC-1929871,2',11'-Triphenyl-3'a,9'a,12'a,12'b,12'c,12'd-hexahydro-1'H-spiro[pyrrolidine-3,9'-pyrrolo[3,4-h]pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline]-1',2,3',5,10',12'(2'H,4'H,11'H)-hexone
Database identifiers
- CAS
40120-04-5- PubChem CID
- 303640
- DTXSID
DTXSID70307573
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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