Summary

IMPPAT Phytochemical identifier: IMPHY015394

Phytochemical name: 4-(P-Methoxyphenyl)-2-(4-phenyl-2-pyridyl)-6-(2-pyridyl)-pyridine

Synonymous chemical names:
4-(-p-methoxyphenyl)-2-(4-phenyl-2-pyridyl)-6-(2-pyridyl)-pyridine

External chemical identifiers:
CID:634455

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Chemical structure information

SMILES:
COc1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1nccc(c1)c1ccccc1

InChI:
InChI=1S/C28H21N3O/c1-32-24-12-10-21(11-13-24)23-18-27(25-9-5-6-15-29-25)31-28(19-23)26-17-22(14-16-30-26)20-7-3-2-4-8-20/h2-19H,1H3

InChIKey:
MBFTWTMHKSEWMJ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))cccncc6)cccccn6))))))))cncccc6)cccccc6

Functional groups:
cOC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4ccccn4)n3)c2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCNC(C3CC(C4CCCCC4)CC(C4CCCCN4)N3)C2)CC1

Scaffold Graph level:
C1CCC(C2CCCC(C3CC(C4CCCCC4)CC(C4CCCCC4)C3)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Bipyridines and oligopyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -0.529

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Chemical structure download