1,3,5-Tris(4-formylphenyl)benzene

C₂₇H₁₈O₃CAS 118688-53-2390.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₇H₁₈O₃
Molar mass: 390.44 g/mol
Exact mass: 390.1256 Da
logP: 6.13Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Identifiers

CAS number

118688-53-2

SMILES

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

InChIKey

ZCJZVMNBJKPQEV-UHFFFAOYSA-N

InChI

InChI=1S/C27H18O3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-18H

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Names and synonyms

1 names

1,3,5-Tris(P-formylphenyl)benzene

Work with 1,3,5-Tris(4-formylphenyl)benzene

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

[1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-883 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-868 % similar 3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde221018-04-868 % similar 1,4-Benzenedicarboxaldehyde623-27-867 % similar 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]443922-06-358 % similar 4′-(Methylthio)[1,1′-biphenyl]-4-carboxaldehyde221018-02-656 % similar 4′-Trifluoromethylbiphenyl-4-carboxaldehyde90035-34-056 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-752 % similar

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

Elsewhere

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