1,5-Bis[4-[n-[4,6-bis(n-octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentane

HCID 22015429
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Basic information

Standard SMILES
CCCCCCCCNc1nc(NCCCCCCCC)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NCCCCCCCC)nc(NCCCCCCCC)n4)cc3)cc2)n1
InChIKey
XWFMNVKHWAWYKJ-UHFFFAOYSA-N
Molecular formula
C55H92N12O2
Average molar mass
953.4 g/mol

Names & identifiers

Preferred name
1,5-Bis[4-[n-[4,6-bis(n-octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentane
IUPAC
2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine

Names & synonyms

SCHEMBL5390277XWFMNVKHWAWYKJ-UHFFFAOYSA-N1,5-bis[4-[n-[4,6-bis(n-octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentane

Database identifiers

PubChem CID
22015429

Properties

Computed structural properties

XLogP
19.4
Topological polar surface area
168 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
14
Rotatable bonds
44
Heavy atoms
69

Related reactions

3 records
New reaction record

Compound notes

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