Basic information
- CAS
93965-07-2- Standard SMILES
O=C(Nc1cccc2c(=O)c3c4[nH]c5c(ccc6c(=O)c7ccccc7c(=O)c65)c4c4c5ccc6c(=O)c7ccccc7c(=O)c6c5[nH]c4c3c(=O)c12)c1ccccc1- InChIKey
RNQITKVPAMEWHU-UHFFFAOYSA-N- Molecular formula
- C49H23N3O7
- Average molar mass
- 765.7 g/mol
- Monoisotopic mass
- 765.15360008
Names & identifiers
- Preferred name
- N-(7,14,20,27,33,40-hexaoxo-17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetraconta-1,3(16),4,6(15),8,10,12,18,21(26),22,24,28,31(44),32(41),34,36,38,42-octadecaen-22-yl)benzamide
- IUPAC
- N-(7,14,20,27,33,40-hexaoxo-17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetraconta-1,3(16),4,6(15),8,10,12,18,21(26),22,24,28,31(44),32(41),34,36,38,42-octadecaen-22-yl)benzamide
Database identifiers
- CAS
93965-07-2- PubChem CID
- 57356366
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,860
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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