Basic information
- CAS
85826-18-2- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OCCN(CC)CC)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1- InChIKey
NOWUKGZJJGESCP-UHFFFAOYSA-N- Molecular formula
- C41H46N6O6
- Average molar mass
- 718.8 g/mol
- Monoisotopic mass
- 718.34788321
Names & identifiers
- Preferred name
- Benzoic acid, 4,4'-((6-(diphenylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(diethylamino)ethyl) ester
- IUPAC
- 2-(diethylamino)ethyl 4-[[4-[4-[2-(diethylamino)ethoxycarbonyl]phenoxy]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]oxy]benzoate
Names & synonyms
85826-18-2Benzoic acid, 4,4'-((6-(diphenylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(diethylamino)ethyl) esterDTXSID30235101RefChem:327252DTXCID90157592bis[2-(diethylamino)ethyl] 4,4'-{[6-(diphenylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dibenzoate
Database identifiers
- CAS
85826-18-2- PubChem CID
- 55401
- DTXSID
DTXSID30235101
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 21
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 958
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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