chempirical

4',4''',4''''',4'''''''-(Ethene-1,1,2,2-tetrayl)tetrakis(([1,1'-biphenyl]-4-carbaldehyde))

C54H36O4CAS 1624970-54-2748.88 g/mol

Open in Covalent MOL file
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AldehydeAlkene

Properties

Molecular formula
C54H36O4
Molar mass
748.88 g/mol
Exact mass
748.2614 Da
logP
12.61Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
12

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
1624970-54-2
SMILES
C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C(=C(C3=CC=C(C=C3)C4=CC=C(C=C4)C=O)C5=CC=C(C=C5)C6=CC=C(C=C6)C=O)C7=CC=C(C=C7)C8=CC=C(C=C8)C=O
InChIKey
UVIQQPAIGLRPTJ-UHFFFAOYSA-N
InChI
InChI=1S/C54H36O4/c55-33-37-1-9-41(10-2-37)45-17-25-49(26-18-45)53(50-27-19-46(20-28-50)42-11-3-38(34-56)4-12-42)54(51-29-21-47(22-30-51)43-13-5-39(35-57)6-14-43)52-31-23-48(24-32-52)44-15-7-40(36-58)8-16-44/h1-36H

Weigh it out

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Work with 4',4''',4''''',4'''''''-(Ethene-1,1,2,2-tetrayl)tetrakis(([1,1'-biphenyl]-4-carbaldehyde))

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'''-(Ethene-1,1,2,2-tetrayl)tetrabenzaldehyde2170451-48-486 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-871 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-263 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-860 % similar 1,4-Benzenedicarboxaldehyde623-27-857 % similar 4'-Methylbiphenyl-4-carbaldehyde36393-42-756 % similar 4'-Fluorobiphenyl-4-carbaldehyde60992-98-556 % similar 4-[2,4,5-Tris(4-formylphenyl)phenyl]benzaldehyde883835-33-454 % similar

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

Elsewhere

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