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

C₂₄H₁₅I₃CAS 151417-38-8684.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₁₅I₃
Molar mass: 684.10 g/mol
Exact mass: 683.8308 Da
logP: 8.50Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H318 Causes serious eye damage97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number

151417-38-8

SMILES

C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)I)C4=CC=C(C=C4)I)I

InChIKey

KGLWDSJGGFTHHD-UHFFFAOYSA-N

InChI

InChI=1S/C24H15I3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H

Weigh it out

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

Names and synonyms

1 names

1 3 5-Tris(4-iodophenyl)benzene) 90

Work with 1,3,5-Tris(4-iodophenyl)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

4,4''-Diiodo-P-terphenyl19053-14-680 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-880 % similar 4-Iodobiphenyl1591-31-763 % similar 1,4-Diiodobenzene624-38-460 % similar 4-Bromo-4'-iodobiphenyl105946-82-557 % similar 4-Hydroxy-4′-iodobiphenyl29558-78-957 % similar M-Dppi87666-86-257 % similar 4-Iodo-4'-propylbiphenyl782477-81-048 % similar

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

Elsewhere

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