chempirical

6′-(Diethylamino)-2′-[(2,4-dimethylphenyl)amino]-3′-methylspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one

C33H32N2O3CAS 36431-22-8504.63 g/mol

Open in Covalent MOL file
NONHOO
EsterEtherLactoneSecondary amineTertiary amine

Properties

Molecular formula
C33H32N2O3
Molar mass
504.63 g/mol
Exact mass
504.2413 Da
logP
7.77Crippen estimate
Polar surface area
50.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
36431-22-8
SMILES
CCN(CC)c1ccc2c(c1)Oc1cc(C)c(Nc3ccc(C)cc3C)cc1C21OC(=O)c2ccccc21
InChIKey
GFGSEGIRJFDXFP-UHFFFAOYSA-N
InChI
InChI=1S/C33H32N2O3/c1-6-35(7-2)23-13-14-26-31(18-23)37-30-17-22(5)29(34-28-15-12-20(3)16-21(28)4)19-27(30)33(26)25-11-9-8-10-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3

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Names and synonyms

8 names
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 6′-(diethylamino)-2′-[(2,4-dimethylphenyl)amino]-3′-methyl-
  • 3-Diethylamino-6-methyl-7-(2′,4′-dimethylanilino)fluoran
  • 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran
  • Yamamoto black 15
  • BK 15
  • WinCon 15
  • Black XV
  • Chameleon black 15

Work with 6′-(Diethylamino)-2′-[(2,4-dimethylphenyl)amino]-3′-methylspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one

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-one29512-49-081 % similar Solvent red 49509-34-269 % similar 6′-[Ethyl(3-methylbutyl)amino]-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one70516-41-569 % similar 3′,6′-Dichlorospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one630-88-646 % similar 7,7-Bis[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-B]pyridin-5(7H)-one132467-74-445 % similar Fluorescein2321-07-543 % similar 3′,6′-Diacetylfluorescein596-09-842 % similar Sodium fluorescein518-47-842 % similar

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

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