chempirical

Solvent red 49

C28H30N2O3CAS 509-34-2442.56 g/mol

Open in Covalent MOL file
NONOO
EsterEtherLactoneTertiary amine

Properties

Molecular formula
C28H30N2O3
Molar mass
442.56 g/mol
Exact mass
442.2256 Da
logP
5.95Crippen estimate
Polar surface area
42.0 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Identifiers

CAS number
509-34-2
SMILES
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2ccccc21
InChIKey
DZNJMLVCIZGWSC-UHFFFAOYSA-N
InChI
InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3

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Names and synonyms

35 names · show all
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-bis(diethylamino)-
  • Fluoran, 3′,6′-bis(diethylamino)-
  • C.I. Solvent red 49
  • 3′,6′-Bis(diethylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
  • Rhodamine B lactone
  • Rhodamine B base
  • Aizen rhodamine B base
  • Certiqual rhodamine
  • Eljon magenta toner
  • Fast oil pink B
  • Lacquer pink S
  • Rhodamine B extra base
  • Waxoline rhodamine B
  • Waxoline rhodamine BS
  • Rhodamine base B extra
  • Rhodamine B base extra
  • Rhodamine S lactone
  • 3′,6′-Bis(diethylamino)-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]
  • Oil pink 312
  • Orient oil pink 312
  • Rhodamine S (Russian), lactone
  • Rhodamine base FB
  • Baso red 546
  • Neptune red base 543
  • Baso red NB 546
  • Aizen SOT pink 1
  • Rhodamine base B
  • Oil pink 330
  • Orient pink 312
  • NSC 43944
  • Neptune red base NB 543LD
  • Oil red 312
  • Orient oil red 312
  • Vali fast pink 2312
  • 3′,6′-Bis(diethylamino)spiro[2-benzofuran-3,9′-xanthene]-1-one

Work with Solvent red 49

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

6′-(Diethylamino)-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one29512-49-073 % similar 6′-(Diethylamino)-2′-[(2,4-dimethylphenyl)amino]-3′-methylspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one36431-22-869 % similar Protein hydrolyzates, yeast100684-36-467 % similar 3′,6′-Dichlorospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one630-88-663 % similar 6′-[Ethyl(3-methylbutyl)amino]-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one70516-41-561 % similar 7,7-Bis[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-B]pyridin-5(7H)-one132467-74-460 % similar Fluorescein2321-07-560 % similar 6′-(Dibutylamino)-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one89331-94-258 % similar

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

Elsewhere

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