Basic information
- CAS
93194-39-9- Standard SMILES
C[n+]1c(-c2ccc(C(=O)NCCCCNCCCNC(=O)c3ccc(-c4c5cc(N)ccc5c5ccc(N)cc5[n+]4C)cc3)cc2)c2cc(N)ccc2c2ccc(N)cc21- InChIKey
CHEJUHFWSQGVBC-UHFFFAOYSA-P- Molecular formula
- C49H51N9O2+2
- Average molar mass
- 798 g/mol
- Monoisotopic mass
- 797.4165719
Names & identifiers
- Preferred name
- 3,8-Diamino-6-(4-(((3-((4-((4-(3,8-diamino-5-methylphenanthridinium-6-yl)benzoyl)amino)butyl)amino)propyl)amino)carbonyl)phenyl)-5-methylphenanthridinium
- IUPAC
- 4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)-N-[4-[3-[[4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoyl]amino]propylamino]butyl]benzamide
Names & synonyms
Bis(methidium)spermidine3,8-Diamino-6-(4-(((3-((4-((4-(3,8-diamino-5-methylphenanthridinium-6-yl)benzoyl)amino)butyl)amino)propyl)amino)carbonyl)phenyl)-5-methylphenanthridinium93194-39-9Phenanthridinium, 3,8-diamino-6-(4-(((3-((4-((4-(3,8-diamino-5-methylphenanthridinium-6-yl)benzoyl)amino)butyl)amino)propyl)amino)carbonyl)phenyl)-5-methyl-
Database identifiers
- CAS
93194-39-9- PubChem CID
- 150367
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 60
- Formal charge
- 2
- Complexity
- 1,390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…