2,3,5,6-tetrakis[(E)-2-anthracen-9-ylethenyl]pyrazine

Systemtic Name: 2,3,5,6-tetrakis[(E)-2-anthracen-9-ylethenyl]pyrazine Openeye Name: 2,3,5,6-tetrakis[(E)-2-(9-anthryl)vinyl]pyrazine CAS Name: 2,3,5,6-tetrakis[(E)-2-(9-anthracenyl)ethenyl]pyrazine IUPAC Name: 2,3,5,6-tetrakis[(E)-2-anthracen-9-ylethenyl]pyrazine Traditional Name: 2,3,5,6-tetrakis[(E)-2-(9-anthryl)vinyl]pyrazine Formula: C68H44N2 MolecularWeight: 889.09036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=CC4=C(N=C(C(=N4)C=CC5=C6C=CC=CC6=CC7=CC=CC=C75)C=CC8=C9C=CC=CC9=CC1=CC=CC=C18)C=CC1=C2C=CC=CC2=CC2=CC=CC=C21

Isomeric SMILES

C1=CC=C2C(=C3C(=CC2=C1)C=CC=C3)/C=C/C4=C(N=C(C(=N4)/C=C/C5=C6C(=CC7=CC=CC=C57)C=CC=C6)/C=C/C8=C9C(=CC1=CC=CC=C81)C=CC=C9)/C=C/C1=C2C(=CC3=CC=CC=C13)C=CC=C2

InChI

InChI=1S/C68H44N2/c1-9-25-53-45(17-1)41-46-18-2-10-26-54(46)61(53)33-37-65-66(38-34-62-55-27-11-3-19-47(55)42-48-20-4-12-28-56(48)62)70-68(40-36-64-59-31-15-7-23-51(59)44-52-24-8-16-32-60(52)64)67(69-65)39-35-63-57-29-13-5-21-49(57)43-50-22-6-14-30-58(50)63/h1-44H/b37-33+,38-34+,39-35+,40-36+