2,3,5,6-tetrakis[(E)-2-anthracen-1-ylethenyl]pyrazine

Systemtic Name: 2,3,5,6-tetrakis[(E)-2-anthracen-1-ylethenyl]pyrazine Openeye Name: 2,3,5,6-tetrakis[(E)-2-(1-anthryl)vinyl]pyrazine CAS Name: 2,3,5,6-tetrakis[(E)-2-(1-anthracenyl)ethenyl]pyrazine IUPAC Name: 2,3,5,6-tetrakis[(E)-2-anthracen-1-ylethenyl]pyrazine Traditional Name: 2,3,5,6-tetrakis[(E)-2-(1-anthryl)vinyl]pyrazine Formula: C68H44N2 MolecularWeight: 889.09036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C=CC4=C(N=C(C(=N4)C=CC5=CC=CC6=CC7=CC=CC=C7C=C65)C=CC8=CC=CC9=CC1=CC=CC=C1C=C98)C=CC1=CC=CC2=CC3=CC=CC=C3C=C21

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C(=C2)C(=CC=C3)/C=C/C4=C(N=C(C(=N4)/C=C/C5=CC=CC6=CC7=CC=CC=C7C=C56)/C=C/C8=CC=CC9=CC1=CC=CC=C1C=C89)/C=C/C1=CC=CC2=CC3=CC=CC=C3C=C12

InChI

InChI=1S/C68H44N2/c1-5-17-53-41-61-45(21-9-25-57(61)37-49(53)13-1)29-33-65-66(34-30-46-22-10-26-58-38-50-14-2-6-18-54(50)42-62(46)58)70-68(36-32-48-24-12-28-60-40-52-16-4-8-20-56(52)44-64(48)60)67(69-65)35-31-47-23-11-27-59-39-51-15-3-7-19-55(51)43-63(47)59/h1-44H/b33-29+,34-30+,35-31+,36-32+