chempirical

(T-4)-[Tetrahydroborato(1-)-κH,κH′]bis(triphenylphosphine)copper

C36H34BCuP2CAS 16903-61-0602.97 g/mol

Open in Covalent MOL file
BH4−Cu+PP
Phosphine

Properties

Molecular formula
C36H34BCuP2
Molar mass
602.97 g/mol
Exact mass
602.1525 Da
Melting point
177 °C
logP
5.44Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
16903-61-0
SMILES
[BH4-].[Cu+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIKey
YVXRFTLDBYUBGJ-UHFFFAOYSA-N
InChI
InChI=1S/2C18H15P.BH4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-15H;1H4;/q;;-1;+1

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Names and synonyms

9 names
  • Copper, [tetrahydroborato(1-)-κH,κH′]bis(triphenylphosphine)-, (T-4)-
  • Copper, [tetrahydroborato(1-)]bis(triphenylphosphine)-
  • Copper, [tetrahydroborato(1-)-H,H′]bis(triphenylphosphine)-, (T-4)-
  • Copper, (tetrahydroborato)bis(triphenylphosphine)-
  • [Tetrahydroborato(1-)]bis(triphenylphosphine)copper
  • (Tetrahydroborato)bis(triphenylphosphine)copper
  • Tetrahydroboratobis(triphenylphosphine)copper(I)
  • Bis(triphenylphosphine)cuprous borohydride
  • Bis(triphenylphosphine)copper(I) borohydride

Work with (T-4)-[Tetrahydroborato(1-)-κH,κH′]bis(triphenylphosphine)copper

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

Triphenylphosphine603-35-067 % similar 1,4-Bis(diphenylphosphino)benzene1179-06-263 % similar Tetrakis(triphenylphosphine)palladium14221-01-357 % similar Tetrakis(triphenylphosphine)platinum14221-02-457 % similar Hydrotetrakis(triphenylphosphine)rhodium18284-36-157 % similar Triphenylphosphonium bromide6399-81-157 % similar Dichlorotris(triphenylphosphine)ruthenium(II)15529-49-452 % similar Bis(triphenylphosphine)palladium chloride13965-03-250 % similar

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

Elsewhere

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