1-[2-(7-ethynyl-9,9-diheptyl-fluoren-2-yl)ethynyl]pyrene

Systemtic Name: 1-[2-(7-ethynyl-9,9-diheptyl-fluoren-2-yl)ethynyl]pyrene Openeye Name: 1-[2-(7-ethynyl-9,9-diheptyl-fluoren-2-yl)ethynyl]pyrene CAS Name: 1-[2-(7-ethynyl-9,9-diheptyl-2-fluorenyl)ethynyl]pyrene IUPAC Name: 1-[2-(7-ethynyl-9,9-diheptylfluoren-2-yl)ethynyl]pyrene Traditional Name: 1-[2-(7-ethynyl-9,9-diheptyl-fluoren-2-yl)ethynyl]pyrene Formula: C47H46 MolecularWeight: 610.86814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C2=C(C=CC(=C2)C#C)C3=C1C=C(C=C3)C#CC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)CCCCCCC

Isomeric SMILES

CCCCCCCC1(C2=C(C=CC(=C2)C#C)C3=C1C=C(C=C3)C#CC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)CCCCCCC

InChI

InChI=1S/C47H46/c1-4-7-9-11-13-30-47(31-14-12-10-8-5-2)43-32-34(6-3)19-27-41(43)42-28-20-35(33-44(42)47)18-21-36-22-23-39-25-24-37-16-15-17-38-26-29-40(36)46(39)45(37)38/h3,15-17,19-20,22-29,32-33H,4-5,7-14,30-31H2,1-2H3