chempirical

4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetrabenzaldehyde

C44H26O4CAS 1415238-25-3618.69 g/mol

Open in Covalent MOL file
OOOO
Aldehyde

Properties

Molecular formula
C44H26O4
Molar mass
618.69 g/mol
Exact mass
618.1831 Da
logP
10.50Crippen 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
1415238-25-3
SMILES
C1=CC(=CC=C1C=O)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=C(C=C6)C=O)C7=CC=C(C=C7)C=O)C8=CC=C(C=C8)C=O
InChIKey
ZGLHKEJAGHMUHR-UHFFFAOYSA-N
InChI
InChI=1S/C44H26O4/c45-23-27-1-9-31(10-2-27)39-21-40(32-11-3-28(24-46)4-12-32)36-19-20-38-42(34-15-7-30(26-48)8-16-34)22-41(33-13-5-29(25-47)6-14-33)37-18-17-35(39)43(36)44(37)38/h1-26H

Weigh it out

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

Work with 4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetrabenzaldehyde

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-[2,4,5-Tris(4-formylphenyl)phenyl]benzaldehyde883835-33-472 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-856 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-256 % similar 4,4,4,4-(1,3,6,8-Pyrenetetrayl)tetrakis[benzenamine]1610471-69-650 % similar 1,4-Benzenedicarboxaldehyde623-27-850 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-848 % similar 2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde108934-21-047 % similar 2'-Fluorobiphenyl-4-carbaldehyde57592-42-447 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook