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4',4''''-[1,1'-Biphenyl]-4,4'-diylbis-(2,2':6',2''-terpyridine)

Catalog Number ACM147624984
CAS 147624-98-4
Synonyms 4,4'-Di([2,2':6',2''-terpyridin]-4'-yl)-1,1'-biphenyl
IUPAC Name 4-[4-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
Molecular Weight 616.71
Molecular Formula C42H28N6
InChI InChI=1S/C42H28N6/c1-5-21-43-35(9-1)39-25-33(26-40(47-39)36-10-2-6-22-44-36)31-17-13-29(14-18-31)30-15-19-32(20-16-30)34-27-41(37-11-3-7-23-45-37)48-42(28-34)38-12-4-8-24-46-38/h1-28H
InChI Key VQZSLSACLQVEBA-UHFFFAOYSA-N
Complexity 832
Exact Mass 616.23754492 g/mol
Formal Charge 0
Heavy Atom Count 48
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
Isomeric SMILES C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC(=NC(=C6)C7=CC=CC=N7)C8=CC=CC=N8
Monoisotopic Mass 616.23754492 g/mol
Rotatable Bond Count 7
Topological Polar Surface Area 77.3Ų

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