chempirical

5-[4′-(Bromomethyl)[1,1′-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole

C33H25BrN4CAS 124750-51-2557.50 g/mol

Open in Covalent MOL file
BrNNNN
Alkyl halide

Properties

Molecular formula
C33H25BrN4
Molar mass
557.50 g/mol
Exact mass
556.1263 Da
Melting point
135–137 °C
logP
7.74Crippen estimate
Polar surface area
43.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

Identifiers

CAS number
124750-51-2
SMILES
BrCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
ZTFVTXDWDFIQEU-UHFFFAOYSA-N
InChI
InChI=1S/C33H25BrN4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-36-37-38(32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23H,24H2

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Names and synonyms

14 names · show all
  • 1H-Tetrazole, 5-[4′-(bromomethyl)[1,1′-biphenyl]-2-yl]-1-(triphenylmethyl)-
  • 4′-Bromomethyl-2-(1-trityl-1H-tetrazol-5-yl)biphenyl
  • N-Triphenylmethyl-5-[2-(4′-bromomethylbiphenyl)]tetrazole
  • 4-Bromomethyl-2′-[N-triphenylmethyl-1H-tetrazol-5-yl]biphenyl
  • 4′-Bromomethyl-2-(1-triphenylmethyltetrazol-5-yl)biphenyl
  • [2′-(N-Trityltetrazol-5-yl)biphenyl-4-yl]methyl bromide
  • [2′-(1-Trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl bromide
  • [2′-(Triphenylmethyl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl bromide
  • 4′-Bromomethyl-2-(N-trityl-1H-tetrazol-5-yl)biphenyl
  • N-Triphenylmethyl-5-[4′-(bromomethyl)biphenyl-2-yl]tetrazole
  • 5-[4′-(Bromomethyl)biphenyl-2-yl]-N-(triphenylmethyl)tetrazole
  • 4-[2′-(N-Triphenylmethyltetrazol-5-yl)phenyl]benzyl bromide
  • 5-(4′-Bromomethylbiphenyl-2-yl)-1-trityl-1H-tetrazole
  • 1-Triphenylmethyl-5-[4′-(bromomethyl)biphenyl-2-yl]tetrazole

Work with 5-[4′-(Bromomethyl)[1,1′-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole

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

2-Butyl-3-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one138402-10-549 % similar Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylate144690-33-544 % similar 4-(Bromomethyl)-2′-cyanobiphenyl114772-54-239 % similar Tritylolmesartan medoxomil144690-92-637 % similar tert-Butyl 4-bromomethylbiphenyl-2-carboxylate114772-40-634 % similar Benzyl bromide100-39-034 % similar Methyl 4′-(bromomethyl)biphenyl-2-carboxylate114772-38-234 % similar 2-Butyl-4-chloro-1-[[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-methanol133909-99-630 % similar

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

Elsewhere

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