chempirical

4,4'-Bis(5-hexylthiophen-2-yl)-2,2'-bipyridine

C30H36N2S2CAS 1047684-56-9488.75 g/mol

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Properties

Molecular formula
C30H36N2S2
Molar mass
488.75 g/mol
Exact mass
488.2320 Da
logP
9.85Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
13

Identifiers

CAS number
1047684-56-9
SMILES
CCCCCCC1=CC=C(S1)C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=C(S4)CCCCCC
InChIKey
DCFNCZSDXIPGOQ-UHFFFAOYSA-N
InChI
InChI=1S/C30H36N2S2/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3

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Names and synonyms

1 names
  • 4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridyl

Work with 4,4'-Bis(5-hexylthiophen-2-yl)-2,2'-bipyridine

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

4,4′-Dinonyl-2,2′-bipyridine142646-58-054 % similar 2-Butyl-5-ethylthiophene54411-06-240 % similar 2-Hexylthiophene18794-77-939 % similar 2-Octylthiophene880-36-439 % similar 2-Hexylpyridine1129-69-738 % similar 2-Pentylthiophene4861-58-936 % similar 2-Pentylpyridine2294-76-036 % similar 2,5-Dibromo-3-hexylthiophene116971-11-035 % similar

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

Elsewhere

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