1-(3-pyren-1-yl-5-pyren-4-yl-phenyl)pyrene

Systemtic Name: 1-(3-pyren-1-yl-5-pyren-4-yl-phenyl)pyrene Openeye Name: 1-(3-pyren-1-yl-5-pyren-4-yl-phenyl)pyrene CAS Name: 1-[3-(1-pyrenyl)-5-(4-pyrenyl)phenyl]pyrene IUPAC Name: 1-(3-pyren-1-yl-5-pyren-4-ylphenyl)pyrene Traditional Name: 1-(3-pyren-1-yl-5-pyren-4-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=CC7=CC=CC8=C7C9=C(C=CC=C69)C=C8)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=CC7=CC=CC8=C7C9=C(C=CC=C69)C=C8)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

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