1-[4-[2,5-bis(4-methylphenyl)-4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene

Systemtic Name: 1-[4-[2,5-bis(4-methylphenyl)-4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene Openeye Name: 1-[4-[2,5-bis(p-tolyl)-4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene CAS Name: 1-[4-[2,5-bis(4-methylphenyl)-4-[4-(1-pyrenyl)phenyl]phenyl]phenyl]pyrene IUPAC Name: 1-[4-[2,5-bis(4-methylphenyl)-4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene Traditional Name: 1-[4-[2,5-bis(p-tolyl)-4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene Formula: C64H42 MolecularWeight: 811.01828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C=C2C3=CC=C(C=C3)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2C3=CC=C(C=C3)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C64H42/c1-39-9-13-43(14-10-39)57-37-60(46-23-19-42(20-24-46)54-34-30-52-28-26-48-6-4-8-50-32-36-56(54)64(52)62(48)50)58(44-15-11-40(2)12-16-44)38-59(57)45-21-17-41(18-22-45)53-33-29-51-27-25-47-5-3-7-49-31-35-55(53)63(51)61(47)49/h3-38H,1-2H3