5,7,12,14-tetrakis(3-phenylphenyl)pentacene

Systemtic Name: 5,7,12,14-tetrakis(3-phenylphenyl)pentacene Openeye Name: 5,7,12,14-tetrakis(3-phenylphenyl)pentacene CAS Name: 5,7,12,14-tetrakis(3-phenylphenyl)pentacene IUPAC Name: 5,7,12,14-tetrakis(3-phenylphenyl)pentacene Traditional Name: 5,7,12,14-tetrakis(3-phenylphenyl)pentacene Formula: C70H46 MolecularWeight: 887.11424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C4C=CC=CC4=C(C5=CC6=C(C7=CC=CC=C7C(=C6C=C53)C8=CC=CC(=C8)C9=CC=CC=C9)C1=CC=CC(=C1)C1=CC=CC=C1)C1=CC=CC(=C1)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C4C=CC=CC4=C(C5=CC6=C(C7=CC=CC=C7C(=C6C=C53)C8=CC=CC(=C8)C9=CC=CC=C9)C1=CC=CC(=C1)C1=CC=CC=C1)C1=CC=CC(=C1)C1=CC=CC=C1

InChI

InChI=1S/C70H46/c1-5-21-47(22-6-1)51-29-17-33-55(41-51)67-59-37-13-14-38-60(59)68(56-34-18-30-52(42-56)48-23-7-2-8-24-48)64-46-66-65(45-63(64)67)69(57-35-19-31-53(43-57)49-25-9-3-10-26-49)61-39-15-16-40-62(61)70(66)58-36-20-32-54(44-58)50-27-11-4-12-28-50/h1-46H