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

HCID 22015433

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

Related reactions

5 records

Compound notes

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