chempirical

(2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene)

C41H64B2O4CAS 196207-58-6642.58 g/mol

Open in Covalent MOL file
BOOBOO
Boronic ester

Properties

Molecular formula
C41H64B2O4
Molar mass
642.58 g/mol
Exact mass
642.4991 Da
logP
10.05Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
16

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
196207-58-6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C3(CCCCCCCC)CCCCCCCC)C=C(C=C4)B5OC(C(O5)(C)C)(C)C
InChIKey
FAHIZHKRQQNPLC-UHFFFAOYSA-N
InChI
InChI=1S/C41H64B2O4/c1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43/h23-26,29-30H,11-22,27-28H2,1-10H3

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Names and synonyms

1 names
  • 9,9-Dioctylfluorene-2,7-diboronic acid bis(pinacol) ester

Work with (2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(9,9-Dioctyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane302554-81-088 % similar 9,9-Dimethylfluorene-2,7-diboronic acid bis(pinacol) ester325129-69-957 % similar 9,9-Dihexyl-9H-fluoren-2-boronic acid371193-08-757 % similar 9-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole406726-92-954 % similar 2,7-Dibromo-9,9-didecylfluorene175922-78-853 % similar 9,9-Dihexyl-2,7-dibromofluorene189367-54-253 % similar 9,9-Dioctyl-2,7-dibromofluorene198964-46-453 % similar 9,9-Spirodifluorene-2-boronic acid pinacol ester884336-44-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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