1,3,6,8-tetrakis(2-phenylphenyl)pyrene

Systemtic Name: 1,3,6,8-tetrakis(2-phenylphenyl)pyrene Openeye Name: 1,3,6,8-tetrakis(2-phenylphenyl)pyrene CAS Name: 1,3,6,8-tetrakis(2-phenylphenyl)pyrene IUPAC Name: 1,3,6,8-tetrakis(2-phenylphenyl)pyrene Traditional Name: 1,3,6,8-tetrakis(2-phenylphenyl)pyrene Formula: C64H42 MolecularWeight: 811.01828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC(=C4C=CC5=C(C=C(C6=C5C4=C3C=C6)C7=CC=CC=C7C8=CC=CC=C8)C9=CC=CC=C9C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC(=C4C=CC5=C(C=C(C6=C5C4=C3C=C6)C7=CC=CC=C7C8=CC=CC=C8)C9=CC=CC=C9C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1

InChI

InChI=1S/C64H42/c1-5-21-43(22-6-1)47-29-13-17-33-51(47)59-41-60(52-34-18-14-30-48(52)44-23-7-2-8-24-44)56-39-40-58-62(54-36-20-16-32-50(54)46-27-11-4-12-28-46)42-61(57-38-37-55(59)63(56)64(57)58)53-35-19-15-31-49(53)45-25-9-3-10-26-45/h1-42H