2,3,4,5-tetra(pyren-1-yl)thiophene

Systemtic Name: 2,3,4,5-tetra(pyren-1-yl)thiophene Openeye Name: 2,3,4,5-tetra(pyren-1-yl)thiophene CAS Name: 2,3,4,5-tetrakis(1-pyrenyl)thiophene IUPAC Name: 2,3,4,5-tetra(pyren-1-yl)thiophene Traditional Name: 2,3,4,5-tetra(pyren-1-yl)thiophene Formula: C68H36S MolecularWeight: 885.07844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=C(SC(=C5C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=C(SC(=C5C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C68H36S/c1-5-37-13-17-45-25-31-51(49-29-21-41(9-1)57(37)61(45)49)65-66(52-32-26-46-18-14-38-6-2-10-42-22-30-50(52)62(46)58(38)42)68(56-36-28-48-20-16-40-8-4-12-44-24-34-54(56)64(48)60(40)44)69-67(65)55-35-27-47-19-15-39-7-3-11-43-23-33-53(55)63(47)59(39)43/h1-36H