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

Systemtic Name: 1,3,6,8-tetrakis(4-phenoxyphenyl)pyrene Openeye Name: 1,3,6,8-tetrakis(4-phenoxyphenyl)pyrene CAS Name: 1,3,6,8-tetrakis(4-phenoxyphenyl)pyrene IUPAC Name: 1,3,6,8-tetrakis(4-phenoxyphenyl)pyrene Traditional Name: 1,3,6,8-tetrakis(4-phenoxyphenyl)pyrene Formula: C64H42O4 MolecularWeight: 875.01588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC(=C4C=CC5=C(C=C(C6=C5C4=C3C=C6)C7=CC=C(C=C7)OC8=CC=CC=C8)C9=CC=C(C=C9)OC1=CC=CC=C1)C1=CC=C(C=C1)OC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC(=C4C=CC5=C(C=C(C6=C5C4=C3C=C6)C7=CC=C(C=C7)OC8=CC=CC=C8)C9=CC=C(C=C9)OC1=CC=CC=C1)C1=CC=C(C=C1)OC1=CC=CC=C1

InChI

InChI=1S/C64H42O4/c1-5-13-47(14-6-1)65-51-29-21-43(22-30-51)59-41-60(44-23-31-52(32-24-44)66-48-15-7-2-8-16-48)56-39-40-58-62(46-27-35-54(36-28-46)68-50-19-11-4-12-20-50)42-61(57-38-37-55(59)63(56)64(57)58)45-25-33-53(34-26-45)67-49-17-9-3-10-18-49/h1-42H