2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-bis(4-phenylphenyl)tetracene

Systemtic Name: 2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-bis(4-phenylphenyl)tetracene Openeye Name: 2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-bis(4-phenylphenyl)tetracene CAS Name: 2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-bis(4-phenylphenyl)tetracene IUPAC Name: 2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-bis(4-phenylphenyl)tetracene Traditional Name: 2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-bis(4-phenylphenyl)tetracene Formula: C70H68 MolecularWeight: 909.28892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C4C=C(C=CC4=C(C3=C(C5=C2C=CC(=C5)C(C)(C)C)C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C(C)(C)C)C(C)(C)C)C9=CC=C(C=C9)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C4C=C(C=CC4=C(C3=C(C5=C2C=CC(=C5)C(C)(C)C)C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C(C)(C)C)C(C)(C)C)C9=CC=C(C=C9)C1=CC=CC=C1

InChI

InChI=1S/C70H68/c1-67(2,3)53-35-31-51(32-36-53)61-57-41-39-55(69(7,8)9)43-59(57)64(50-29-25-48(26-30-50)46-21-17-14-18-22-46)66-62(52-33-37-54(38-34-52)68(4,5)6)58-42-40-56(70(10,11)12)44-60(58)63(65(61)66)49-27-23-47(24-28-49)45-19-15-13-16-20-45/h13-44H,1-12H3