chempirical

10,10'-Dibromo-9,9'-bianthryl

C28H16Br2CAS 121848-75-7512.24 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C28H16Br2
Molar mass
512.24 g/mol
Exact mass
509.9619 Da
logP
9.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
121848-75-7
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Br)C4=C5C=CC=CC5=C(C6=CC=CC=C64)Br
InChIKey
NPNNLGXEAGTSRN-UHFFFAOYSA-N
InChI
InChI=1S/C28H16Br2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H

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Names and synonyms

1 names
  • 10,10'-Dibromo-9,9'-bianthracene

Work with 10,10'-Dibromo-9,9'-bianthryl

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-(4′-Biphenylyl)-10-bromoanthracene400607-05-865 % similar 9-Bromo-10-[1,1′:3′,1′′-terphenyl]-5′-ylanthracene474688-74-960 % similar 9-Bromoanthracene1564-64-355 % similar 9([1,1`-Biphenyl]-4-yl)-10-bromo-2-phenylanthracene1195975-03-154 % similar 9-Bromo-10-[4-(1-naphthyl)phenyl]anthracene1092390-01-652 % similar 1,4-Dibromonaphthalene83-53-450 % similar 6,12-Dibromochrysene131222-99-643 % similar 9,10-Diphenylanthracene1499-10-143 % similar

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

Elsewhere

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