chempirical

1,1′-[2,2-Bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] bis(2-cyano-3,3-diphenyl-2-propenoate)

C69H48N4O8CAS 178671-58-41061.16 g/mol

Open in Covalent MOL file
NOOOONOONOON
AlkeneEsterNitrile

Properties

Molecular formula
C69H48N4O8
Molar mass
1061.16 g/mol
Exact mass
1060.3472 Da
logP
12.25Crippen estimate
Polar surface area
200.4 Ų
H-bond donors / acceptors
0 / 12
Rotatable bonds
20

Identifiers

CAS number
178671-58-4
SMILES
N#CC(C(=O)OCC(COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1)(COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
InChIKey
CVSXFBFIOUYODT-UHFFFAOYSA-N
InChI
InChI=1S/C69H48N4O8/c70-41-57(61(49-25-9-1-10-26-49)50-27-11-2-12-28-50)65(74)78-45-69(46-79-66(75)58(42-71)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-80-67(76)59(43-72)63(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-81-68(77)60(44-73)64(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,45-48H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 1,1′-[2,2-bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
  • 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2,2-bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy]methyl]-1,3-propanediyl ester
  • 1,3-Bis[(2-cyano-3,3-diphenylacryloyl)oxy]-2,2-bis[[(2-cyano-3,3-diphenylacryloyl)oxy]methyl]propane
  • Uvinul 3030
  • Uvinul 3030-12
  • UV 3030
  • 1,3-Bis[(2′-cyano-3′,3′-diphenylacryloyl)oxy]-2,2-bis-[(2′-cyano-3′,3′-diphenylacryloyl)oxy]methyl]propane
  • 2,2-Bis(((2-cyano-3,3-diphenylacryloyl)oxy)methyl)propane-1,3-diyl bis(2-cyano-3,3-diphenylacrylate)

Work with 1,1′-[2,2-Bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] bis(2-cyano-3,3-diphenyl-2-propenoate)

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

Ethyl 2-cyano-3,3-diphenylacrylate5232-99-569 % similar Octocrylene6197-30-457 % similar Pentaerythrityl tetrabenzoate4196-86-550 % similar Trimethylolpropane tribenzoate54547-34-144 % similar Benzoyl cyanide613-90-139 % similar Ethyl benzoylformate1603-79-836 % similar Neopentyl glycol dibenzoate4196-89-836 % similar Dibenzyl oxalate7579-36-435 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook