4,4',4'',4'''-Methanetetrayltetrabenzaldehyde

C₂₉H₂₀O₄CAS 617706-61-3432.48 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₉H₂₀O₄
Molar mass: 432.48 g/mol
Exact mass: 432.1362 Da
logP: 5.32Crippen estimate
Polar surface area: 68.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

617706-61-3

SMILES

C1=CC(=CC=C1C=O)C(C2=CC=C(C=C2)C=O)(C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O

InChIKey

NKFUMXIARBFRPH-UHFFFAOYSA-N

InChI

InChI=1S/C29H20O4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-20H

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Names and synonyms

1 names

4-[Tris(4-formylphenyl)methyl]benzaldehyde

Work with 4,4',4'',4'''-Methanetetrayltetrabenzaldehyde

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

1,4-Benzenedicarboxaldehyde623-27-867 % similar 4-(Trifluoromethyl)benzaldehyde455-19-663 % similar 4-tert-Butylbenzaldehyde939-97-963 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-857 % similar 4′-Trifluoromethylbiphenyl-4-carboxaldehyde90035-34-056 % similar Benzaldehyde100-52-750 % similar 4-Methylbenzaldehyde104-87-050 % similar 4-Chlorobenzaldehyde104-88-150 % similar

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

Elsewhere

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