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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1C(C)(C)C)C2=C(C3=C(C4=CC=CC=C43)C(=C2C5=C(C(=CC=C5)C(C)(C)C)C(C)(C)C)C6=C(C(=CC=C6)C(C)(C)C)C(C)(C)C)C7=C(C(=CC=C7)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1C(C)(C)C)C2=C(C3=C(C4=CC=CC=C43)C(=C2C5=C(C(=CC=C5)C(C)(C)C)C(C)(C)C)C6=C(C(=CC=C6)C(C)(C)C)C(C)(C)C)C7=C(C(=CC=C7)C(C)(C)C)C(C)(C)C

InChI

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