chempirical

Ru 535-bis tba

C42H49N7O8RuS22−CAS 207347-46-4945.08 g/mol

Open in Covalent MOL file
N+OO−NOOHNOO−NOO−NN−SN−SRu2+
Carboxylic acidQuaternary ammonium

Properties

Molecular formula
C42H49N7O8RuS22−
Molar mass
945.08 g/mol
Exact mass
945.2127 Da
logP
5.39Crippen estimate
Polar surface area
253.8 Ų
H-bond donors / acceptors
1 / 13
Rotatable bonds
18

Identifiers

CAS number
207347-46-4
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[N-]=C=S.[N-]=C=S.[Ru+2]
InChIKey
SMPRLEKXAMTEAT-UHFFFAOYSA-K
InChI
InChI=1S/C16H36N.2C12H8N2O4.2CNS.Ru/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h5-16H2,1-4H3;2*1-6H,(H,15,16)(H,17,18);;;/q+1;;;2*-1;+2/p-3

Weigh it out

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

Names and synonyms

13 names · show all
  • 1-Butanaminium, N,N,N-tributyl-, hydrogen (OC-6-21)-bis[[2,2′-bipyridine]-4,4′-dicarboxylato(2-)-κN1,κN1′]bis(thiocyanato-κN)ruthenate(4-) (2:2:1)
  • Ruthenate(4-), bis[[2,2′-bipyridine]-4,4′-dicarboxylato(2-)-κN1,κN1′]bis(thiocyanato-κN)-, (OC-6-21)-, bis(N,N,N-tributyl-1-butanaminium) dihydrogen
  • N 719 (Dye)
  • N 719
  • Ruthenium 535bis-TBA
  • Dyesol B 2 dye
  • Dyesol B 2
  • Ruthenizer 535bis-TBA
  • D 719
  • Ruthenizer 535bis
  • cis-Bis(isothiocyanato)bis(2,2′-bipyridyl-4,4′-dicarboxylato)ruthenium bistetrabutylammonium
  • N719
  • Ruthenium N 719

Work with Ru 535-bis tba

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′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-941 % similar 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylic acid216018-58-541 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-639 % similar 2-Nitro-4-pyridinecarboxylic acid33225-74-034 % similar Lutidinic acid499-80-933 % similar 2-Fluoroisonicotinic acid402-65-333 % similar 4-Butoxybenzoic acid1498-96-032 % similar 4-Butylbenzoic acid20651-71-232 % similar

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

Elsewhere

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