4-(2-phenanthren-9-ylethynyl)pyrene

Systemtic Name: 4-(2-phenanthren-9-ylethynyl)pyrene Openeye Name: 4-[2-(9-phenanthryl)ethynyl]pyrene CAS Name: 4-[2-(9-phenanthrenyl)ethynyl]pyrene IUPAC Name: 4-(2-phenanthren-9-ylethynyl)pyrene Traditional Name: 4-[2-(9-phenanthryl)ethynyl]pyrene Formula: C32H18 MolecularWeight: 402.48532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C#CC4=CC5=CC=CC6=C5C7=C(C=CC=C47)C=C6

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C#CC4=CC5=CC=CC6=C5C7=C(C=CC=C47)C=C6

InChI

InChI=1S/C32H18/c1-2-11-27-23(7-1)19-24(28-12-3-4-13-30(27)28)17-18-25-20-26-10-5-8-21-15-16-22-9-6-14-29(25)32(22)31(21)26/h1-16,19-20H