3-[2-[4-(2-dibenzothiophen-3-ylethynyl)-2-ethyl-phenyl]ethynyl]dibenzothiophene

Systemtic Name: 3-[2-[4-(2-dibenzothiophen-3-ylethynyl)-2-ethyl-phenyl]ethynyl]dibenzothiophene Openeye Name: 3-[2-[4-(2-dibenzothiophen-3-ylethynyl)-2-ethyl-phenyl]ethynyl]dibenzothiophene CAS Name: 3-[2-[4-[2-(3-dibenzothiophenyl)ethynyl]-2-ethylphenyl]ethynyl]dibenzothiophene IUPAC Name: 3-[2-[4-(2-dibenzothiophen-3-ylethynyl)-2-ethylphenyl]ethynyl]dibenzothiophene Traditional Name: 3-[2-[4-(2-dibenzothiophen-3-ylethynyl)-2-ethyl-phenyl]ethynyl]dibenzothiophene Formula: C36H22S2 MolecularWeight: 518.68988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C#CC2=CC3=C(C=C2)C4=CC=CC=C4S3)C#CC5=CC6=C(C=C5)C7=CC=CC=C7S6

Isomeric SMILES

CCC1=C(C=CC(=C1)C#CC2=CC3=C(C=C2)C4=CC=CC=C4S3)C#CC5=CC6=C(C=C5)C7=CC=CC=C7S6

InChI

InChI=1S/C36H22S2/c1-2-27-21-24(11-12-25-15-19-31-29-7-3-5-9-33(29)37-35(31)22-25)13-17-28(27)18-14-26-16-20-32-30-8-4-6-10-34(30)38-36(32)23-26/h3-10,13,15-17,19-23H,2H2,1H3