1-[3,5-di(pyren-1-yl)phenyl]pyrene

Systemtic Name: 1-[3,5-di(pyren-1-yl)phenyl]pyrene Openeye Name: 1-[3,5-di(pyren-1-yl)phenyl]pyrene CAS Name: 1-[3,5-bis(1-pyrenyl)phenyl]pyrene IUPAC Name: 1-[3,5-di(pyren-1-yl)phenyl]pyrene Traditional Name: 1-[3,5-di(pyren-1-yl)phenyl]pyrene Formula: C54H30 MolecularWeight: 678.816

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C54H30/c1-4-31-10-13-37-16-22-43(46-25-19-34(7-1)49(31)52(37)46)40-28-41(44-23-17-38-14-11-32-5-2-8-35-20-26-47(44)53(38)50(32)35)30-42(29-40)45-24-18-39-15-12-33-6-3-9-36-21-27-48(45)54(39)51(33)36/h1-30H