chempirical

Tris(4-iodophenyl)amine

C18H12I3NCAS 4181-20-8623.01 g/mol

Open in Covalent MOL file
NIII
Aryl halideTertiary amine

Properties

Molecular formula
C18H12I3N
Molar mass
623.01 g/mol
Exact mass
622.8104 Da
logP
6.97Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

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
4181-20-8
SMILES
C1=CC(=CC=C1N(C2=CC=C(C=C2)I)C3=CC=C(C=C3)I)I
InChIKey
AQGZDWJFOYXGAA-UHFFFAOYSA-N
InChI
InChI=1S/C18H12I3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H

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Work with Tris(4-iodophenyl)amine

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

1,4-Diiodobenzene624-38-460 % similar 4,4''-Diiodo-P-terphenyl19053-14-650 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-850 % similar 1-Chloro-4-iodobenzene637-87-650 % similar Tri-p-tolylamine1159-53-143 % similar 1,3,5-Tris(4-iodophenyl)benzene151417-38-843 % similar N,N,N',N'-Tetrakis(4-aminophenyl)-1,4-benzenediamine3283-07-643 % similar 1-Fluoro-4-iodobenzene352-34-143 % similar

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

Elsewhere

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