4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine

C₂₂H₁₇N₃CAS 89972-77-0323.40 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₁₇N₃
Molar mass: 323.40 g/mol
Exact mass: 323.1422 Da
logP: 5.18Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

89972-77-0

SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4

InChIKey

IDJYBUVHZHLIIT-UHFFFAOYSA-N

InChI

InChI=1S/C22H17N3/c1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20/h2-15H,1H3

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Names and synonyms

1 names

4'-(4-Methylphenyl)-2,2':6',2''-terpyridine

Work with 4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine

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

2-(4-Methylphenyl)pyridine4467-06-568 % similar 4′-(4-Bromophenyl)-2,2′:6′,2′′-terpyridine89972-76-966 % similar 4-[2,2':6',2''-Terpyridin]-4'-ylbenzoic acid158014-74-556 % similar Terpyridine1148-79-452 % similar 4′-Chloro-2,2′:6′,2′′-terpyridine128143-89-551 % similar 4'-Bromo-2,2':6',2''-terpyridine149817-62-951 % similar 2,2'-Bipyridine366-18-748 % similar 2,2':6',2''-Terpyridine-4'-carbaldehyde108295-45-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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