3,13,23-Triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4(9),11,14(19),21,24(29)-hexaene-10,20,30-trione
Basic information
- CAS
70071-68-0- Standard SMILES
O=c1c2c([nH]c3c1c1[nH]c4c(c(=O)c1c1[nH]c5c(c(=O)c31)CCCC5)CCCC4)CCCC2- InChIKey
NDEOWZRFMBOVCQ-UHFFFAOYSA-N- Molecular formula
- C27H27N3O3
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.20524173
Names & identifiers
- Preferred name
- 3,13,23-Triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4(9),11,14(19),21,24(29)-hexaene-10,20,30-trione
- IUPAC
- 3,13,23-triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4(9),11,14(19),21,24(29)-hexaene-10,20,30-trione
Names & synonyms
NSC32625370071-68-0DTXSID10318128NSC-3262531,3,4,5,7,9,10,11,13,15,16,17-Dodecahydrodibenzo[b,j]quinolino[2,3-f][1,7]phenanthroline-6,12,18(2H,8H,14H)-trione
Database identifiers
- CAS
70071-68-0- PubChem CID
- 331745
- DTXSID
DTXSID10318128
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 927
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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