2-phenyl-3-[4-[4-[3-[4-[4-(3-phenylquinoxalin-2-yl)phenoxy]phenyl]but-3-en-1-ynyl]phenoxy]phenyl]quinoxaline

Systemtic Name: 2-phenyl-3-[4-[4-[3-[4-[4-(3-phenylquinoxalin-2-yl)phenoxy]phenyl]but-3-en-1-ynyl]phenoxy]phenyl]quinoxaline Openeye Name: 2-[4-[4-[1-methylene-3-[4-[4-(3-phenylquinoxalin-2-yl)phenoxy]phenyl]prop-2-ynyl]phenoxy]phenyl]-3-phenyl-quinoxaline CAS Name: 2-phenyl-3-[4-[4-[3-[4-[4-(3-phenyl-2-quinoxalinyl)phenoxy]phenyl]but-3-en-1-ynyl]phenoxy]phenyl]quinoxaline IUPAC Name: 2-phenyl-3-[4-[4-[3-[4-[4-(3-phenylquinoxalin-2-yl)phenoxy]phenyl]but-3-en-1-ynyl]phenoxy]phenyl]quinoxaline Traditional Name: 2-[4-[4-[1-methylene-3-[4-[4-(3-phenylquinoxalin-2-yl)phenoxy]phenyl]prop-2-ynyl]phenoxy]phenyl]-3-phenyl-quinoxaline Formula: C56H36N4O2 MolecularWeight: 796.91064

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C#CC1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5)C6=CC=C(C=C6)OC7=CC=C(C=C7)C8=NC9=CC=CC=C9N=C8C1=CC=CC=C1

Isomeric SMILES

C=C(C#CC1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5)C6=CC=C(C=C6)OC7=CC=C(C=C7)C8=NC9=CC=CC=C9N=C8C1=CC=CC=C1

InChI

InChI=1S/C56H36N4O2/c1-38(40-24-32-46(33-25-40)62-48-36-28-44(29-37-48)56-54(42-14-6-3-7-15-42)58-50-17-9-11-19-52(50)60-56)20-21-39-22-30-45(31-23-39)61-47-34-26-43(27-35-47)55-53(41-12-4-2-5-13-41)57-49-16-8-10-18-51(49)59-55/h2-19,22-37H,1H2