9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene

Systemtic Name: 9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene Openeye Name: 9-[2,5-dimethyl-3,4,6-tris(9-phenanthryl)phenyl]phenanthrene CAS Name: 9-[2,5-dimethyl-3,4,6-tris(9-phenanthrenyl)phenyl]phenanthrene IUPAC Name: 9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene Traditional Name: 9-[2,5-dimethyl-3,4,6-tris(9-phenanthryl)phenyl]phenanthrene Formula: C64H42 MolecularWeight: 811.01828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C2=CC3=CC=CC=C3C4=CC=CC=C42)C5=CC6=CC=CC=C6C7=CC=CC=C75)C)C8=CC9=CC=CC=C9C1=CC=CC=C18)C1=CC2=CC=CC=C2C2=CC=CC=C21

Isomeric SMILES

CC1=C(C(=C(C(=C1C2=CC3=CC=CC=C3C4=CC=CC=C42)C5=CC6=CC=CC=C6C7=CC=CC=C75)C)C8=CC9=CC=CC=C9C1=CC=CC=C18)C1=CC2=CC=CC=C2C2=CC=CC=C21

InChI

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