2,7-ditert-butyl-10b,10c-dimethyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene

Systemtic Name: 2,7-ditert-butyl-10b,10c-dimethyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene Openeye Name: 2,7-ditert-butyl-10b,10c-dimethyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene CAS Name: 2,7-ditert-butyl-10b,10c-dimethyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene IUPAC Name: 2,7-ditert-butyl-10b,10c-dimethyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene Traditional Name: 2,7-ditert-butyl-10b,10c-dimethyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene Formula: C58H48 MolecularWeight: 745.00172

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC(=CC1=C(C(=C4C2(C(=CC(=C4)C(C)(C)C)C(=C3C#CC5=CC=CC=C5)C#CC6=CC=CC=C6)C)C#CC7=CC=CC=C7)C#CC8=CC=CC=C8)C(C)(C)C

Isomeric SMILES

CC12C3=CC(=CC1=C(C(=C4C2(C(=CC(=C4)C(C)(C)C)C(=C3C#CC5=CC=CC=C5)C#CC6=CC=CC=C6)C)C#CC7=CC=CC=C7)C#CC8=CC=CC=C8)C(C)(C)C

InChI

InChI=1S/C58H48/c1-55(2,3)45-37-51-47(33-29-41-21-13-9-14-22-41)49(35-31-43-25-17-11-18-26-43)53-39-46(56(4,5)6)40-54-50(36-32-44-27-19-12-20-28-44)48(34-30-42-23-15-10-16-24-42)52(38-45)57(51,7)58(53,54)8/h9-28,37-40H,1-8H3