1,3,6,8-tetrakis(4-phenylphenyl)pyrene

Systemtic Name: 1,3,6,8-tetrakis(4-phenylphenyl)pyrene Openeye Name: 1,3,6,8-tetrakis(4-phenylphenyl)pyrene CAS Name: 1,3,6,8-tetrakis(4-phenylphenyl)pyrene IUPAC Name: 1,3,6,8-tetrakis(4-phenylphenyl)pyrene Traditional Name: 1,3,6,8-tetrakis(4-phenylphenyl)pyrene Formula: C64H42 MolecularWeight: 811.01828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C4C=CC5=C(C=C(C6=C5C4=C3C=C6)C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C4C=CC5=C(C=C(C6=C5C4=C3C=C6)C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1

InChI

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