benzimidazo[2,1-a]isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8(2H)-trione
Basic information
- CAS
70654-89-6- Standard SMILES
O=C1NC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c46)c(=O)n1c2ccccc2nc51- InChIKey
INSSLQUYDBBRFG-UHFFFAOYSA-N- Molecular formula
- C30H13N3O3
- Average molar mass
- 463.4 g/mol
- Monoisotopic mass
- 463.09569129
Names & identifiers
- Preferred name
- benzimidazo[2,1-a]isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8(2H)-trione
- IUPAC
- 7,18,25-triazanonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2(33),3(12),4(9),5(32),10,13(30),14,16(31),17,19,21,23,27-tetradecaene-6,8,26-trione
Names & synonyms
70654-89-6STK367365NSC 334711benzimidazo[2,1-a]isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8(2H)-trioneNSC334711SCHEMBL13151591DTXSID30318746AKOS005443943NSC-334711ST50905211[1,3]Benzimidazo[2,1-a]isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8(2H)-trione
Database identifiers
- CAS
70654-89-6- PubChem CID
- 333495
- DTXSID
DTXSID30318746
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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