1-(3-phenanthren-9-yl-5-pyren-1-yl-phenyl)pyrene

Systemtic Name: 1-(3-phenanthren-9-yl-5-pyren-1-yl-phenyl)pyrene Openeye Name: 1-[3-(9-phenanthryl)-5-pyren-1-yl-phenyl]pyrene CAS Name: 1-[3-(9-phenanthrenyl)-5-(1-pyrenyl)phenyl]pyrene IUPAC Name: 1-(3-phenanthren-9-yl-5-pyren-1-ylphenyl)pyrene Traditional Name: 1-[3-(9-phenanthryl)-5-pyren-1-yl-phenyl]pyrene Formula: C52H30 MolecularWeight: 654.7946

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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=C1C=CC2=CC=CC3=C2C1=C(C=C3)C=C9

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=C1C=CC2=CC=CC3=C2C1=C(C=C3)C=C9

InChI

InChI=1S/C52H30/c1-2-12-41-37(7-1)30-48(45-14-4-3-13-44(41)45)40-28-38(42-23-19-35-17-15-31-8-5-10-33-21-25-46(42)51(35)49(31)33)27-39(29-40)43-24-20-36-18-16-32-9-6-11-34-22-26-47(43)52(36)50(32)34/h1-30H