2-[2-[5-tert-butyl-2-(4-phenylbuta-1,3-diynyl)phenyl]ethynyl]triphenylene

Systemtic Name: 2-[2-[5-tert-butyl-2-(4-phenylbuta-1,3-diynyl)phenyl]ethynyl]triphenylene Openeye Name: 2-[2-[5-tert-butyl-2-(4-phenylbuta-1,3-diynyl)phenyl]ethynyl]triphenylene CAS Name: 2-[2-[5-tert-butyl-2-(4-phenylbuta-1,3-diynyl)phenyl]ethynyl]triphenylene IUPAC Name: 2-[2-[5-tert-butyl-2-(4-phenylbuta-1,3-diynyl)phenyl]ethynyl]triphenylene Traditional Name: 2-[2-[5-tert-butyl-2-(4-phenylbuta-1,3-diynyl)phenyl]ethynyl]triphenylene Formula: C40H28 MolecularWeight: 508.65032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C#CC#CC2=CC=CC=C2)C#CC3=CC4=C(C=C3)C5=CC=CC=C5C6=CC=CC=C64

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C#CC#CC2=CC=CC=C2)C#CC3=CC4=C(C=C3)C5=CC=CC=C5C6=CC=CC=C64

InChI

InChI=1S/C40H28/c1-40(2,3)33-25-24-31(16-8-7-15-29-13-5-4-6-14-29)32(28-33)23-21-30-22-26-38-36-19-10-9-17-34(36)35-18-11-12-20-37(35)39(38)27-30/h4-6,9-14,17-20,22,24-28H,1-3H3