chempirical

Fluorescent yellow 8G

C30H28O4CAS 2744-50-5452.55 g/mol

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Ester

Properties

Molecular formula
C30H28O4
Molar mass
452.55 g/mol
Exact mass
452.1988 Da
logP
7.36Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
2744-50-5
SMILES
CC(C)COC(=O)c1ccc2c3cccc4c(C(=O)OCC(C)C)ccc(c5cccc1c52)c43
InChIKey
YLNJGHNUXCVDIX-UHFFFAOYSA-N
InChI
InChI=1S/C30H28O4/c1-17(2)15-33-29(31)25-13-11-23-20-8-6-10-22-26(30(32)34-16-18(3)4)14-12-24(28(20)22)19-7-5-9-21(25)27(19)23/h5-14,17-18H,15-16H2,1-4H3

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Names and synonyms

6 names
  • 3,9-Perylenedicarboxylic acid, 3,9-bis(2-methylpropyl) ester
  • 3,9-Perylenedicarboxylic acid, diisobutyl ester
  • 3,9-Perylenedicarboxylic acid, bis(2-methylpropyl) ester
  • Diisobutyl 3,9-perylenedicarboxylate
  • Thermoplast F 084 green gold
  • Bis(2-methylpropyl) 3,9-perylenedicarboxylate

Work with Fluorescent yellow 8G

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

Diisobutyl phthalate84-69-564 % similar Isobutyl anthranilate7779-77-355 % similar Isobutyl salicylate87-19-455 % similar Isobutyl benzoate120-50-354 % similar Isobutylparaben4247-02-347 % similar Isobutyl P-aminobenzoate94-14-447 % similar Isobutyl 4-chloro-3,5-diaminobenzoate32961-44-743 % similar Isobutyl gallate3856-05-141 % similar

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

Elsewhere

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