chempirical

4-[2,4,5-Tris(4-formylphenyl)phenyl]benzaldehyde

C34H22O4CAS 883835-33-4494.55 g/mol

Open in Covalent MOL file
OOOO
Aldehyde

Properties

Molecular formula
C34H22O4
Molar mass
494.55 g/mol
Exact mass
494.1518 Da
logP
7.60Crippen estimate
Polar surface area
68.3 Ų
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
883835-33-4
SMILES
C1=CC(=CC=C1C=O)C2=CC(=C(C=C2C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O)C5=CC=C(C=C5)C=O
InChIKey
KYERQSUZHFINIE-UHFFFAOYSA-N
InChI
InChI=1S/C34H22O4/c35-19-23-1-9-27(10-2-23)31-17-33(29-13-5-25(21-37)6-14-29)34(30-15-7-26(22-38)8-16-30)18-32(31)28-11-3-24(20-36)4-12-28/h1-22H

Weigh it out

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

Names and synonyms

1 names
  • 1,2,4,5-Tetrakis-(4-formylphenyl)benzene

Work with 4-[2,4,5-Tris(4-formylphenyl)phenyl]benzaldehyde

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

4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetrabenzaldehyde1415238-25-372 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-870 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-268 % similar 1,4-Benzenedicarboxaldehyde623-27-863 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-858 % similar 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]443922-06-356 % similar 2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde108934-21-055 % similar 2'-Fluorobiphenyl-4-carbaldehyde57592-42-455 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook