[9,9-Dibutyl-7-[2-[4-(dihexylamino)phenyl]ethynyl]-9H-fluorene-2-yl]-2-methyl-3-butyn-2-ol

HCID 86646643
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Basic information

Standard SMILES
C#CC(C)(O)Cc1ccc2c(c1)C(CCCC)(CCCC)c1cc(C#Cc3ccc(N(CCCCCC)CCCCCC)cc3)ccc1-2
InChIKey
PBZJSBZBTGFVEQ-UHFFFAOYSA-N
Molecular formula
C46H61NO
Average molar mass
644 g/mol

Names & identifiers

Preferred name
[9,9-Dibutyl-7-[2-[4-(dihexylamino)phenyl]ethynyl]-9H-fluorene-2-yl]-2-methyl-3-butyn-2-ol
IUPAC
1-[9,9-dibutyl-7-[2-[4-(dihexylamino)phenyl]ethynyl]fluoren-2-yl]-2-methylbut-3-yn-2-ol

Names & synonyms

SCHEMBL3056290PBZJSBZBTGFVEQ-UHFFFAOYSA-N[9,9-Dibutyl-7-[2-[4-(dihexylamino)phenyl]ethynyl]-9H-fluorene-2-yl]-2-methyl-3-butyn-2-ol

Database identifiers

PubChem CID
86646643

Properties

Computed structural properties

XLogP
14.4
Topological polar surface area
23.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
22
Heavy atoms
48

Related reactions

1 records
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Compound notes

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