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

Systemtic Name: 2,7-ditert-butyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene Openeye Name: 2,7-ditert-butyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene CAS Name: 2,7-ditert-butyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene IUPAC Name: 2,7-ditert-butyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene Traditional Name: 2,7-ditert-butyl-4,5,9,10-tetrakis(2-phenylethynyl)pyrene Formula: C56H42 MolecularWeight: 714.93268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C3C(=C1)C(=C(C4=CC(=CC(=C43)C(=C2C#CC5=CC=CC=C5)C#CC6=CC=CC=C6)C(C)(C)C)C#CC7=CC=CC=C7)C#CC8=CC=CC=C8

Isomeric SMILES

CC(C)(C)C1=CC2=C3C(=C1)C(=C(C4=CC(=CC(=C43)C(=C2C#CC5=CC=CC=C5)C#CC6=CC=CC=C6)C(C)(C)C)C#CC7=CC=CC=C7)C#CC8=CC=CC=C8

InChI

InChI=1S/C56H42/c1-55(2,3)43-35-49-45(31-27-39-19-11-7-12-20-39)47(33-29-41-23-15-9-16-24-41)51-37-44(56(4,5)6)38-52-48(34-30-42-25-17-10-18-26-42)46(50(36-43)53(49)54(51)52)32-28-40-21-13-8-14-22-40/h7-26,35-38H,1-6H3