Basic information
- Standard SMILES
C#Cc1ccc2c(c1)C(CCCC)(CCCC)c1cc(C#Cc3ccc(N(CCCCCC)CCCCCC)cc3)ccc1-2- InChIKey
XYVDFXPZLYSZIN-UHFFFAOYSA-N- Molecular formula
- C43H55N
- Average molar mass
- 585.9 g/mol
Names & identifiers
- Preferred name
- 4-[2-(9,9-Dibutyl-7-ethynyl-9H-fluoren-2-yl)ethynyl]-N,N-dihexylbenzenamine
- IUPAC
- 4-[2-(9,9-dibutyl-7-ethynylfluoren-2-yl)ethynyl]-N,N-dihexylaniline
Names & synonyms
SCHEMBL3049235XYVDFXPZLYSZIN-UHFFFAOYSA-N4-[2-(9,9-Dibutyl-7-ethynyl-9H-fluoren-2-yl)ethynyl]-N,N-dihexylbenzenamine
Database identifiers
- PubChem CID
- 86646642
Properties
Computed structural properties
- XLogP
- 14.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 20
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 896
Related reactions
2 records
Compound notes
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