chempirical

(3-(10-Phenylanthracen-9-yl)phenyl)boronic acid

C26H19BO2CAS 905947-49-1374.25 g/mol

Open in Covalent MOL file
BOHHO
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

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

Identifiers

CAS number
905947-49-1
SMILES
B(C1=CC(=CC=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5)(O)O
InChIKey
XCQOCQGDWNJJIW-UHFFFAOYSA-N
InChI
InChI=1S/C26H19BO2/c28-27(29)20-12-8-11-19(17-20)26-23-15-6-4-13-21(23)25(18-9-2-1-3-10-18)22-14-5-7-16-24(22)26/h1-17,28-29H

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Names and synonyms

1 names
  • 3-(10-Phenyl-9-anthracenyl)phenyl boronic acid

Work with (3-(10-Phenylanthracen-9-yl)phenyl)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

Biphenyl-3-boronic acid5122-95-269 % similar 3-(1-Naphthyl)phenylboronic Acid (contains varying amounts of Anhydride)881913-20-862 % similar (10-Phenylanthracen-9-yl)boronic acid334658-75-261 % similar 3-(Naphthalene-2-yl)phenylboronic acid870774-29-156 % similar (3,5-Diphenylphenyl)boronic acid128388-54-555 % similar 1,3-Benzenediboronic acid4612-28-654 % similar 9,10-Diphenylanthracene1499-10-152 % similar 10-(2-Naphthyl)anthracene-9-boronic acid597554-03-551 % similar

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

Same formula

B-(10-[1,1′-Biphenyl]-4-yl-9-anthracenyl)boronic acid400607-47-8 9,10-Diphenylanthracene-2-boronic Acid597553-98-5

Elsewhere

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