Basic information
- Standard SMILES
CC(C)Cc1cc(CCC(=O)O)ccc1-c1ccc(-c2ccc(OCC(=O)O)c(Cc3ccccc3)c2)c(Cc2ccccc2)c1- InChIKey
FJHSPDMWUOLOQG-UHFFFAOYSA-N- Molecular formula
- C41H40O5
- Average molar mass
- 612.8 g/mol
Names & identifiers
- Preferred name
- Terphenyl scaffold, 18
- IUPAC
- 3-[4-[3-benzyl-4-[3-benzyl-4-(carboxymethoxy)phenyl]phenyl]-3-(2-methylpropyl)phenyl]propanoic acid
Names & synonyms
terphenyl scaffold, 18SCHEMBL4651590CHEMBL3220702BDBM31410FJHSPDMWUOLOQG-UHFFFAOYSA-N3-(3',3''-dibenzyl-4''-(carboxymethoxy)-2-isobutyl-1,1':4',1''-terphenyl-4-yl)propanoic acid
Database identifiers
- PubChem CID
- 10189152
- ChEMBL
CHEMBL3220702- Nikkaji
- J1.680.096A
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 920
Related reactions
2 records
Compound notes
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