3-[3,5-di(perylen-3-yl)phenyl]perylene

Systemtic Name: 3-[3,5-di(perylen-3-yl)phenyl]perylene Openeye Name: 3-[3,5-di(perylen-3-yl)phenyl]perylene CAS Name: 3-[3,5-bis(3-perylenyl)phenyl]perylene IUPAC Name: 3-[3,5-di(perylen-3-yl)phenyl]perylene Traditional Name: 3-[3,5-di(perylen-3-yl)phenyl]perylene Formula: C66H36 MolecularWeight: 828.99204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=C5C(=CC=C4)C(=CC=C5C3=CC=C2)C6=CC(=CC(=C6)C7=CC=C8C9=CC=CC1=C9C(=CC=C1)C1=C8C7=CC=C1)C1=CC=C2C3=CC=CC4=C3C(=CC=C4)C3=C2C1=CC=C3

Isomeric SMILES

C1=CC2=C3C(=C1)C4=C5C(=CC=C4)C(=CC=C5C3=CC=C2)C6=CC(=CC(=C6)C7=CC=C8C9=CC=CC1=C9C(=CC=C1)C1=C8C7=CC=C1)C1=CC=C2C3=CC=CC4=C3C(=CC=C4)C3=C2C1=CC=C3

InChI

InChI=1S/C66H36/c1-10-37-13-4-19-52-58-31-28-43(46-22-7-25-55(64(46)58)49(16-1)61(37)52)40-34-41(44-29-32-59-53-20-5-14-38-11-2-17-50(62(38)53)56-26-8-23-47(44)65(56)59)36-42(35-40)45-30-33-60-54-21-6-15-39-12-3-18-51(63(39)54)57-27-9-24-48(45)66(57)60/h1-36H