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

Systemtic Name: 2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyl-tetracene Openeye Name: 2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyl-tetracene CAS Name: 2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene IUPAC Name: 2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene Traditional Name: 2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyl-tetracene Formula: C58H60 MolecularWeight: 757.097

Click to see the large picture

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=CC=C6)C7=CC=C(C=C7)C(C)(C)C)C(C)(C)C)C8=CC=CC=C8

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=CC=C6)C7=CC=C(C=C7)C(C)(C)C)C(C)(C)C)C8=CC=CC=C8

InChI

InChI=1S/C58H60/c1-55(2,3)41-27-23-39(24-28-41)49-45-33-31-43(57(7,8)9)35-47(45)52(38-21-17-14-18-22-38)54-50(40-25-29-42(30-26-40)56(4,5)6)46-34-32-44(58(10,11)12)36-48(46)51(53(49)54)37-19-15-13-16-20-37/h13-36H,1-12H3