2-(9,9'-Spirobi[fluoren]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C31H27BO2CAS 1346007-05-3442.37 g/mol

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BOO
Boronic ester

Properties

Molecular formula
C31H27BO2
Molar mass
442.37 g/mol
Exact mass
442.2104 Da
logP
6.33Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
1346007-05-3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C6=CC=CC=C64)C7=CC=CC=C73
InChIKey
FCQPLZQSAKVCFH-UHFFFAOYSA-N
InChI
InChI=1S/C31H27BO2/c1-29(2)30(3,4)34-32(33-29)20-17-18-28-24(19-20)23-13-7-10-16-27(23)31(28)25-14-8-5-11-21(25)22-12-6-9-15-26(22)31/h5-19H,1-4H3

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Names and synonyms

1 names
  • 9,9-Spirodifluorene-3-boronic acid pinacol ester

Work with 2-(9,9'-Spirobi[fluoren]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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

4,4,5,5-Tetramethyl-2-(spiro[fluorene-9,9'-xanthen]-2'-yl)-1,3,2-dioxaborolane2106888-79-171 % similar 9,9-Diphenylfluorene-2-boronic acid pinacol ester462128-39-870 % similar 2-(9,9-Dimethyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane569343-09-567 % similar 9,9-Dimethylfluorene-2,7-diboronic acid bis(pinacol) ester325129-69-958 % similar 4,4,5,5-Tetramethyl-2-(naphthalen-2-yl)-1,3,2-dioxaborolane256652-04-755 % similar 4,4,5,5-Tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane890042-13-455 % similar 2-(9H-Fluoren-2-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane922706-40-955 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9,9-Spirodifluorene-2-boronic acid pinacol ester884336-44-1

Elsewhere

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