9,9-Diphenylfluorene-2-boronic acid pinacol ester

C₃₁H₂₉BO₂CAS 462128-39-8444.38 g/mol

Open in Covalent MOL file

Boronic ester

Properties

Molecular formula: C₃₁H₂₉BO₂
Molar mass: 444.38 g/mol
Exact mass: 444.2261 Da
logP: 6.35Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

462128-39-8

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=CC=CC=C4C3(C5=CC=CC=C5)C6=CC=CC=C6

InChIKey

CQMUDHYVDPNPLZ-UHFFFAOYSA-N

InChI

InChI=1S/C31H29BO2/c1-29(2)30(3,4)34-32(33-29)24-19-20-26-25-17-11-12-18-27(25)31(28(26)21-24,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-21H,1-4H3

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Names and synonyms

1 names

2-(9,9-Diphenyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Work with 9,9-Diphenylfluorene-2-boronic acid pinacol ester

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

9,9-Spirodifluorene-2-boronic acid pinacol ester884336-44-184 % similar 2-(9,9'-Spirobi[fluoren]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1346007-05-370 % similar 2-(9,9-Dimethyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane569343-09-568 % similar 4,4,5,5-Tetramethyl-2-(spiro[fluorene-9,9'-xanthen]-2'-yl)-1,3,2-dioxaborolane2106888-79-164 % similar 9,9-Dimethylfluorene-2,7-diboronic acid bis(pinacol) ester325129-69-960 % similar B-(9,9-Diphenyl-9H-fluoren-2-yl)boronic acid400607-31-060 % similar 2-(9,9-Dioctyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane302554-81-055 % similar 2-(9H-Fluoren-2-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane922706-40-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Pinacol ester-9,9-dipehnylfluorene1259280-37-9

Elsewhere

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