chempirical

Nile red

C20H18N2O2CAS 7385-67-3318.38 g/mol

Open in Covalent MOL file
NNOO
Tertiary amine

Properties

Molecular formula
C20H18N2O2
Molar mass
318.38 g/mol
Exact mass
318.1368 Da
Melting point
212 °C
logP
4.29Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
7385-67-3
SMILES
CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1
InChIKey
VOFUROIFQGPCGE-UHFFFAOYSA-N
InChI
InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3

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Names and synonyms

6 names
  • 5H-Benzo[a]phenoxazin-5-one, 9-(diethylamino)-
  • 9-(Diethylamino)-5H-benzo[a]phenoxazin-5-one
  • Nile Blue A oxazone
  • Phenoxazone 9
  • A 84655
  • 9-(Diethylamino)-5H-benzo[a]phenoxazinone

Work with Nile red

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

Coumarin 727425-55-442 % similar Coumarin 191-44-141 % similar Coumarin 638215-36-041 % similar 3-(Diethylamino)-7-oxo-7H-[1]benzopyrano[3′,2′:3,4]pyrido[1,2-A]benzimidazole-6-carbonitrile52372-36-838 % similar Macrolex yellow94945-27-437 % similar Phenoxazin-5-ium, 3,7-bis(diethylamino)-, nitrate (1:1)73570-52-235 % similar Solvent red 19752372-39-134 % similar Pirenoxine1043-21-634 % similar

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

Elsewhere

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