chempirical

Babpa-B

C26H17BrCAS 844679-02-3409.33 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C26H17Br
Molar mass
409.33 g/mol
Exact mass
408.0514 Da
logP
8.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

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
844679-02-3
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)Br
InChIKey
WCMCZLIOCXISPX-UHFFFAOYSA-N
InChI
InChI=1S/C26H17Br/c27-26-23-15-6-4-13-21(23)25(22-14-5-7-16-24(22)26)20-12-8-11-19(17-20)18-9-2-1-3-10-18/h1-17H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 9-Bromo-10-(3-phenylphenyl)anthracene

Work with Babpa-B

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-Bromo-10-[1,1′:3′,1′′-terphenyl]-5′-ylanthracene474688-74-981 % similar 9([1,1`-Biphenyl]-4-yl)-10-bromo-2-phenylanthracene1195975-03-173 % similar 9-Bromo-10-phenylanthracene23674-20-673 % similar 9-Bromo-10-[4-(2-naphthalenyl)phenyl]anthracene866611-29-261 % similar 9-Bromo-10-(naphthalen-2-yl)anthracene474688-73-859 % similar 10,10'-Dibromo-9,9'-bianthryl121848-75-758 % similar 9,10-Dibromoanthracene523-27-352 % similar M-Terphenyl92-06-852 % similar

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

Same formula

2-Bromo-9,10-diphenylanthracene201731-79-5 9-(4′-Biphenylyl)-10-bromoanthracene400607-05-8 9-(2-Biphenylyl)-10-bromoanthracene400607-16-1 9-(4-Bromophenyl)-10-phenylanthracene625854-02-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook