1,2,3,4-tetrakis(3,5-ditert-butylphenyl)biphenylene

Systemtic Name: 1,2,3,4-tetrakis(3,5-ditert-butylphenyl)biphenylene Openeye Name: 1,2,3,4-tetrakis(3,5-ditert-butylphenyl)biphenylene CAS Name: 1,2,3,4-tetrakis(3,5-ditert-butylphenyl)biphenylene IUPAC Name: 1,2,3,4-tetrakis(3,5-ditert-butylphenyl)biphenylene Traditional Name: 1,2,3,4-tetrakis(3,5-ditert-butylphenyl)biphenylene Formula: C68H88 MolecularWeight: 905.42632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C(C(=C(C3=C2C4=CC=CC=C43)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C(C(=C(C3=C2C4=CC=CC=C43)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C68H88/c1-61(2,3)45-29-41(30-46(37-45)62(4,5)6)55-56(42-31-47(63(7,8)9)38-48(32-42)64(10,11)12)58(44-35-51(67(19,20)21)40-52(36-44)68(22,23)24)60-54-28-26-25-27-53(54)59(60)57(55)43-33-49(65(13,14)15)39-50(34-43)66(16,17)18/h25-40H,1-24H3