Basic information
- Standard SMILES
CCCCCCCCNc1nc(NCCCCCCCC)nc(Nc2ccc(OCC(COc3ccc(Nc4nc(NCCCCCCCC)nc(NCCCCCCCC)n4)cc3)(COc3ccc(Nc4nc(NCCCCCCCC)nc(NCCCCCCCC)n4)cc3)COc3ccc(Nc4nc(NCCCCCCCC)nc(NCCCCCCCC)n4)cc3)cc2)n1- InChIKey
PSBJQXYNSDVILF-UHFFFAOYSA-N- Molecular formula
- C105H172N24O4
- Average molar mass
- 1,834.6 g/mol
Names & identifiers
- Preferred name
- 1,3-bis(4-[N-(2,4-bis(N-octylamino)-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[N-(2,4-bis(N-octylamino)-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane
- IUPAC
- 2-N-[4-[3-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]-2,2-bis[[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methyl]propoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine
Names & synonyms
SCHEMBL5385725PSBJQXYNSDVILF-UHFFFAOYSA-Ntetrakis[(4-[n-[4,6-bis(n-octylamino)-1,3,5-triazin-2-yl]amino]phenoxy)methyl]methane1,3-bis(4-[n-(2,4-bis(n-octylamino)-1,3,5-triazin-6-yl) amino]phenoxy)-2,2-bis[(4-[n-(2,4-bis(n-octylamino)-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane1,3-bis(4-[N-(2,4-bis(N-octylamino)-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis [(4-[N-(2,4-bis(N-octylamino)-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane1,3-bis(4-[N-(2,4-bis(N-octylamino)-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[N-(2,4-bis(N-octylamino)-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane
Database identifiers
- PubChem CID
- 22015433
Properties
Computed structural properties
- XLogP
- 36.6
- Topological polar surface area
- 336 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 28
- Rotatable bonds
- 84
- Heavy atoms
- 133
- Formal charge
- 0
- Complexity
- 2,160
Related reactions
5 records
Compound notes
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