1,4-Di[[2,2':6',2''-terpyridin]-4'-yl]benzene

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CAS
146406-75-9
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Catalog Number

ACM146406759

Product Name

1,4-Di[[2,2':6',2''-terpyridin]-4'-yl]benzene

Structure

CAS

146406-75-9

Category

Heterocyclic Organic Compound

Synonyms

RT-019861; 4-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine; CTK8E4635; 4',4''''-(1,4-Phenylene)bis(2,2':6',2''-terpyridine); 1,4-Bis(terpyridil)benzene; AC1NNXNG; AKOS015914696; 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene; AK142189; DTXSID80408363;

IUPAC Name

4-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine;

Molecular Weight

540.63g/mol

Molecular Formula

C36H24N6;

Canonical SMILES

C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C5=CC(=NC(=C5)C6=CC=CC=N6)C7=CC=CC=N7;

InChI

InChI=1S/C36H24N6/c1-5-17-37-29(9-1)33-21-27(22-34(41-33)30-10-2-6-18-38-30)25-13-15-26(16-14-25)28-23-35(31-11-3-7-19-39-31)42-36(24-28)32-12-4-8-20-40-32/h1-24H;

InChI Key

NXMHYAQTBVTLRK-UHFFFAOYSA-N;

Complexity

697

Covalently-Bonded Unit Count

Exact Mass

540.206g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

540.206g/mol

Rotatable Bond Count