Basic information
- CAS
153364-65-9- Standard SMILES
COCCOCCOCCOc1ccc(C(C#N)N(CCc2ccccc2)C(=O)c2cc(C(=O)N(CCc3ccccc3)C(C#N)c3ccc(OCCOCCOCCOC)cc3)cc(C(=O)N(CCc3ccccc3)C(C#N)c3ccc(OCCOCCOCCOC)cc3)c2)cc1- InChIKey
FIPLTVYDTMEZEG-UHFFFAOYSA-N- Molecular formula
- C78H90N6O15
- Average molar mass
- 1,351.6 g/mol
- Monoisotopic mass
- 1,350.64641619
Names & identifiers
- Preferred name
- N~1~,N~3~,N~5~-Tris(cyano(4-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)phenyl)methyl)-N~1~,N~3~,N~5~-tris(2-phenylethyl)-1,3,5-benzenetricarboxamide
- IUPAC
- 1-N,3-N,5-N-tris[cyano-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]-1-N,3-N,5-N-tris(2-phenylethyl)benzene-1,3,5-tricarboxamide
Names & synonyms
NSC673905CHEMBL1983005DTXSID501102745NSC-673905153364-65-9NCI60_026156N~1~,N~3~,N~5~-Tris(cyano(4-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)phenyl)methyl)-N~1~,N~3~,N~5~-tris(2-phenylethyl)-1,3,5-benzenetricarboxamideN1,N3,N5-tris[cyano-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]-N1,N3,N5-triphenethyl-benzene-1,3,5-tricarboxamideN1,N3,N5-Tris[cyano[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]-N1,N3,N5-tris(2-phenylethyl)-1,3,5-benzenetricarboxamide
Database identifiers
- CAS
153364-65-9- PubChem CID
- 384288
- DTXSID
DTXSID501102745- ChEMBL
CHEMBL1983005- Nikkaji
- J569.811A
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 243 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 48
- Heavy atoms
- 99
- Formal charge
- 0
- Complexity
- 2,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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