5,7,12,13,14-pentakis-phenyl-13H-pentacen-6-one

Systemtic Name: 5,7,12,13,14-pentakis-phenyl-13H-pentacen-6-one Openeye Name: 5,7,12,13,14-pentakis-phenyl-13H-pentacen-6-one CAS Name: 5,7,12,13,14-pentakis-phenyl-13H-pentacen-6-one IUPAC Name: 5,7,12,13,14-pentakis-phenyl-13H-pentacen-6-one Traditional Name: 5,7,12,13,14-pentakis-phenyl-13H-pentacen-6-one Formula: C52H34O MolecularWeight: 674.82576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C(=C3C(=O)C5=C(C6=CC=CC=C6C(=C25)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C(=C3C(=O)C5=C(C6=CC=CC=C6C(=C25)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C52H34O/c53-52-50-45(36-24-10-3-11-25-36)41-32-18-16-30-39(41)43(34-20-6-1-7-21-34)48(50)47(38-28-14-5-15-29-38)49-44(35-22-8-2-9-23-35)40-31-17-19-33-42(40)46(51(49)52)37-26-12-4-13-27-37/h1-33,47H