B-(9,9-Diphenyl-9H-fluoren-2-yl)boronic acid

C25H19BO2CAS 400607-31-0362.24 g/mol

Open in Covalent MOL file
OHBHO
Boronic acid

Properties

Molecular formula
C25H19BO2
Molar mass
362.24 g/mol
Exact mass
362.1478 Da
logP
3.73Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
400607-31-0
SMILES
OB(O)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIKey
CPFALCJMNUHBHP-UHFFFAOYSA-N
InChI
InChI=1S/C25H19BO2/c27-26(28)20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,27-28H

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Names and synonyms

3 names
  • Boronic acid, B-(9,9-diphenyl-9H-fluoren-2-yl)-
  • Boronic acid, (9,9-diphenyl-9H-fluoren-2-yl)-
  • (9,9-Diphenyl-9H-fluoren-2-yl)boronic acid

Work with B-(9,9-Diphenyl-9H-fluoren-2-yl)boronic acid

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'-Spirobi(9H-fluorene)-2-boronic Acid236389-21-281 % similar 9,9-Dimethyl-9H-fluoren-2-yl-boronic acid333432-28-361 % similar 9,9-Diphenylfluorene-2-boronic acid pinacol ester462128-39-860 % similar 9,9-Diphenylfluorene20302-14-158 % similar 2-Amino-9,9-diphenylfluorene1268519-74-955 % similar 2-Bromo-9,9-diphenyl-9H-fluorene474918-32-655 % similar N,9,9-Triphenyl-9H-fluoren-2-amine860465-14-153 % similar (9,9-Dimethyl-9H-fluoren-2,7-diyl)diboronic acid866100-14-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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