11-[5,12-bis(2-phenylphenyl)tetracen-2-yl]hexaphene

Systemtic Name: 11-[5,12-bis(2-phenylphenyl)tetracen-2-yl]hexaphene Openeye Name: 11-[5,12-bis(2-phenylphenyl)tetracen-2-yl]hexaphene CAS Name: 11-[5,12-bis(2-phenylphenyl)-2-tetracenyl]hexaphene IUPAC Name: 11-[5,12-bis(2-phenylphenyl)tetracen-2-yl]hexaphene Traditional Name: 11-[5,12-bis(2-phenylphenyl)tetracen-2-yl]hexaphene Formula: C68H42 MolecularWeight: 859.06108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C3=C4C=CC(=CC4=C(C5=CC6=CC=CC=C6C=C53)C7=CC=CC=C7C8=CC=CC=C8)C9=CC1=CC2=C(C=C1C=C9)C=C1C(=C2)C=CC2=CC3=CC=CC=C3C=C21

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C3=C4C=CC(=CC4=C(C5=CC6=CC=CC=C6C=C53)C7=CC=CC=C7C8=CC=CC=C8)C9=CC1=CC2=C(C=C1C=C9)C=C1C(=C2)C=CC2=CC3=CC=CC=C3C=C21

InChI

InChI=1S/C68H42/c1-3-15-43(16-4-1)57-23-11-13-25-59(57)67-61-32-31-51(41-64(61)68(66-40-48-22-10-9-21-47(48)39-65(66)67)60-26-14-12-24-58(60)44-17-5-2-6-18-44)49-27-28-50-35-56-42-63-53(36-55(56)37-54(50)34-49)30-29-52-33-45-19-7-8-20-46(45)38-62(52)63/h1-42H