B-(10-[1,1′-Biphenyl]-4-yl-9-anthracenyl)boronic acid

C26H19BO2CAS 400607-47-8374.25 g/mol

Open in Covalent MOL file
HOBHO
Boronic acid

Properties

Molecular formula
C26H19BO2
Molar mass
374.25 g/mol
Exact mass
374.1478 Da
logP
5.01Crippen 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
400607-47-8
SMILES
OB(O)c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIKey
QIOZCMIWAVEQPN-UHFFFAOYSA-N
InChI
InChI=1S/C26H19BO2/c28-27(29)26-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)26)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-17,28-29H

Weigh it out

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Names and synonyms

3 names
  • Boronic acid, B-(10-[1,1′-biphenyl]-4-yl-9-anthracenyl)-
  • Boronic acid, (10-[1,1′-biphenyl]-4-yl-9-anthracenyl)-
  • (10-([1,1′-Biphenyl]-4-yl)anthracen-9-yl)boronic acid

Work with B-(10-[1,1′-Biphenyl]-4-yl-9-anthracenyl)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

(10-Phenylanthracen-9-yl)boronic acid334658-75-292 % similar 10-(2-Naphthyl)anthracene-9-boronic acid597554-03-564 % similar 9,10-Diphenylanthracene1499-10-156 % similar 10-(1-Naphthyl)anthracene-9-boronic acid400607-46-755 % similar 4-Biphenylboronic acid5122-94-152 % similar 9-(4′-Biphenylyl)-10-bromoanthracene400607-05-852 % similar 9-Anthraceneboronic acid100622-34-248 % similar 9-(4-Bromophenyl)-10-phenylanthracene625854-02-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9,10-Diphenylanthracene-2-boronic Acid597553-98-5 (3-(10-Phenylanthracen-9-yl)phenyl)boronic acid905947-49-1

Elsewhere

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