1-[3,5-di(phenanthren-9-yl)phenyl]pyrene

Systemtic Name: 1-[3,5-di(phenanthren-9-yl)phenyl]pyrene Openeye Name: 1-[3,5-bis(9-phenanthryl)phenyl]pyrene CAS Name: 1-[3,5-bis(9-phenanthrenyl)phenyl]pyrene IUPAC Name: 1-[3,5-di(phenanthren-9-yl)phenyl]pyrene Traditional Name: 1-[3,5-bis(9-phenanthryl)phenyl]pyrene Formula: C50H30 MolecularWeight: 630.7732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC(=CC(=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC1=CC=CC=C1C1=CC=CC=C19

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC(=CC(=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC1=CC=CC=C1C1=CC=CC=C19

InChI

InChI=1S/C50H30/c1-3-14-39-34(10-1)29-47(44-18-7-5-16-42(39)44)37-26-36(41-24-22-33-21-20-31-12-9-13-32-23-25-46(41)50(33)49(31)32)27-38(28-37)48-30-35-11-2-4-15-40(35)43-17-6-8-19-45(43)48/h1-30H