1,2,3,4-tetrakis(2,6-ditert-butylphenyl)biphenylene

Systemtic Name: 1,2,3,4-tetrakis(2,6-ditert-butylphenyl)biphenylene Openeye Name: 1,2,3,4-tetrakis(2,6-ditert-butylphenyl)biphenylene CAS Name: 1,2,3,4-tetrakis(2,6-ditert-butylphenyl)biphenylene IUPAC Name: 1,2,3,4-tetrakis(2,6-ditert-butylphenyl)biphenylene Traditional Name: 1,2,3,4-tetrakis(2,6-ditert-butylphenyl)biphenylene Formula: C68H88 MolecularWeight: 905.42632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)C2=C(C(=C(C3=C2C4=CC=CC=C43)C5=C(C=CC=C5C(C)(C)C)C(C)(C)C)C6=C(C=CC=C6C(C)(C)C)C(C)(C)C)C7=C(C=CC=C7C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)C2=C(C(=C(C3=C2C4=CC=CC=C43)C5=C(C=CC=C5C(C)(C)C)C(C)(C)C)C6=C(C=CC=C6C(C)(C)C)C(C)(C)C)C7=C(C=CC=C7C(C)(C)C)C(C)(C)C

InChI

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