1-[3-(4-anthracen-9-ylphenyl)-5-pyren-1-yl-phenyl]pyrene

Systemtic Name: 1-[3-(4-anthracen-9-ylphenyl)-5-pyren-1-yl-phenyl]pyrene Openeye Name: 1-[3-[4-(9-anthryl)phenyl]-5-pyren-1-yl-phenyl]pyrene CAS Name: 1-[3-[4-(9-anthracenyl)phenyl]-5-(1-pyrenyl)phenyl]pyrene IUPAC Name: 1-[3-(4-anthracen-9-ylphenyl)-5-pyren-1-ylphenyl]pyrene Traditional Name: 1-[3-[4-(9-anthryl)phenyl]-5-pyren-1-yl-phenyl]pyrene Formula: C58H34 MolecularWeight: 730.89056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC=C(C=C4)C5=CC(=CC(=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC=C(C=C4)C5=CC(=CC(=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C58H34/c1-3-13-50-43(7-1)31-44-8-2-4-14-51(44)56(50)40-17-15-35(16-18-40)45-32-46(48-27-23-41-21-19-36-9-5-11-38-25-29-52(48)57(41)54(36)38)34-47(33-45)49-28-24-42-22-20-37-10-6-12-39-26-30-53(49)58(42)55(37)39/h1-34H