1-[3,5-di(perylen-1-yl)phenyl]perylene

Systemtic Name: 1-[3,5-di(perylen-1-yl)phenyl]perylene Openeye Name: 1-[3,5-di(perylen-1-yl)phenyl]perylene CAS Name: 1-[3,5-bis(1-perylenyl)phenyl]perylene IUPAC Name: 1-[3,5-di(perylen-1-yl)phenyl]perylene Traditional Name: 1-[3,5-di(perylen-1-yl)phenyl]perylene Formula: C66H36 MolecularWeight: 828.99204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=C(C=C5)C6=CC(=CC(=C6)C7=C8C9=CC=CC1=C9C(=CC=C1)C1=CC=CC(=C18)C=C7)C1=C4C5=CC=CC6=C5C(=CC=C6)C5=CC=CC(=C54)C=C1)C3=CC=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=C(C=C5)C6=CC(=CC(=C6)C7=C8C9=CC=CC1=C9C(=CC=C1)C1=CC=CC(=C18)C=C7)C1=C4C5=CC=CC6=C5C(=CC=C6)C5=CC=CC(=C54)C=C1)C3=CC=C2

InChI

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