1,3,5-Tribenzoylbenzene

C₂₇H₁₈O₃CAS 25871-69-6390.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₇H₁₈O₃
Molar mass: 390.44 g/mol
Exact mass: 390.1256 Da
logP: 5.38Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

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

25871-69-6

SMILES

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

InChIKey

FDSRSUAVHPFWGT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 1,3,5-Tribenzoylbenzene

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

1,3-Dibenzoylbenzene3770-82-985 % similar Benzophenone119-61-983 % similar 1,4-Dibenzoylbenzene3016-97-579 % similar 3,5-Difluorobenzophenone179113-89-468 % similar 4-Phenylbenzophenone2128-93-065 % similar 1,2-Dibenzoylbenzene1159-86-064 % similar 3-Benzoylbenzoic acid579-18-063 % similar 3,4,5-Trifluorobenzophenone70028-88-563 % similar

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

Same formula

1,3,5-Tris(4-formylphenyl)benzene118688-53-2

Elsewhere

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