chempirical

Bathocuproine

C26H20N2CAS 4733-39-5360.46 g/mol

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Properties

Molecular formula
C26H20N2
Molar mass
360.46 g/mol
Exact mass
360.1626 Da
Melting point
above 275 °C (decomposes)
logP
6.73Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
4733-39-5
SMILES
Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1
InChIKey
STTGYIUESPWXOW-UHFFFAOYSA-N
InChI
InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3

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Names and synonyms

10 names
  • 1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-
  • 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline
  • Bathocuproin
  • 4,7-Diphenyl-2,9-dimethyl-1,10-phenanthroline
  • BCP (dye)
  • BCP
  • NSC 89195
  • 2,9-Dimethyl-4,7-diaphenyl-1,10-phenanthroline
  • 2,9-Dimethyl-4,7-diphenylphenanthroline
  • LT-E 304

Work with Bathocuproine

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

4,7-Diphenyl-1,10-phenanthroline1662-01-745 % similar Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium dichloride36309-88-339 % similar Pyrimethanil53112-28-039 % similar 2-Methylbiphenyl643-58-338 % similar 4-Chloro-2-methylquinoline4295-06-137 % similar O-Terphenyl84-15-136 % similar Neocuproine484-11-734 % similar Quinaldine91-63-434 % similar

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

Same formula

N,N′-Di(2-naphthyl)-P-phenylenediamine93-46-9

Elsewhere

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