chempirical

4,4',4''-Tri-tert-butyl-2,2':6',2''-terpyridine

C27H35N3CAS 115091-29-7401.60 g/mol

Open in Covalent MOL file
NNN

Properties

Molecular formula
C27H35N3
Molar mass
401.60 g/mol
Exact mass
401.2831 Da
logP
7.10Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
115091-29-7
SMILES
CC(C)(C)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(C)(C)C)C(C)(C)C
InChIKey
QMABMHJGSFUTPF-UHFFFAOYSA-N
InChI
InChI=1S/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3

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Work with 4,4',4''-Tri-tert-butyl-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

4-tert-Butylpyridine3978-81-245 % similar 1,3,5-Tri-tert-butylbenzene1460-02-242 % similar 1,3-Di-tert-butylbenzene1014-60-441 % similar 2,6-Di-tert-butylnaphthalene3905-64-440 % similar 4,4′-Dimethyl-2,2′-bipyridine1134-35-639 % similar 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-036 % similar 3,5-Di-tert-butyltoluene15181-11-035 % similar 1-(1,1-Dimethylethyl)-3,5-dimethylbenzene98-19-135 % similar

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

Elsewhere

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