1-[2-[3,5-bis(2-pyren-1-ylethyl)phenyl]ethyl]pyrene

Systemtic Name: 1-[2-[3,5-bis(2-pyren-1-ylethyl)phenyl]ethyl]pyrene Openeye Name: 1-[2-[3,5-bis(2-pyren-1-ylethyl)phenyl]ethyl]pyrene CAS Name: 1-[2-[3,5-bis[2-(1-pyrenyl)ethyl]phenyl]ethyl]pyrene IUPAC Name: 1-[2-[3,5-bis(2-pyren-1-ylethyl)phenyl]ethyl]pyrene Traditional Name: 1-[2-[3,5-bis(2-pyren-1-ylethyl)phenyl]ethyl]pyrene Formula: C60H42 MolecularWeight: 762.97548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCC5=CC(=CC(=C5)CCC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)CCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCC5=CC(=CC(=C5)CCC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)CCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C60H42/c1-4-43-22-25-49-19-16-40(52-31-28-46(7-1)55(43)58(49)52)13-10-37-34-38(11-14-41-17-20-50-26-23-44-5-2-8-47-29-32-53(41)59(50)56(44)47)36-39(35-37)12-15-42-18-21-51-27-24-45-6-3-9-48-30-33-54(42)60(51)57(45)48/h1-9,16-36H,10-15H2