1,2,3,4-tetrakis(2,6-ditert-butyl-4-methyl-phenyl)biphenylene

Systemtic Name: 1,2,3,4-tetrakis(2,6-ditert-butyl-4-methyl-phenyl)biphenylene Openeye Name: 1,2,3,4-tetrakis(2,6-ditert-butyl-4-methyl-phenyl)biphenylene CAS Name: 1,2,3,4-tetrakis(2,6-ditert-butyl-4-methylphenyl)biphenylene IUPAC Name: 1,2,3,4-tetrakis(2,6-ditert-butyl-4-methylphenyl)biphenylene Traditional Name: 1,2,3,4-tetrakis(2,6-ditert-butyl-4-methyl-phenyl)biphenylene Formula: C72H96 MolecularWeight: 961.53264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)C2=C(C(=C(C3=C2C4=CC=CC=C43)C5=C(C=C(C=C5C(C)(C)C)C)C(C)(C)C)C6=C(C=C(C=C6C(C)(C)C)C)C(C)(C)C)C7=C(C=C(C=C7C(C)(C)C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)C2=C(C(=C(C3=C2C4=CC=CC=C43)C5=C(C=C(C=C5C(C)(C)C)C)C(C)(C)C)C6=C(C=C(C=C6C(C)(C)C)C)C(C)(C)C)C7=C(C=C(C=C7C(C)(C)C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C72H96/c1-41-33-47(65(5,6)7)57(48(34-41)66(8,9)10)61-55-45-31-29-30-32-46(45)56(55)62(58-49(67(11,12)13)35-42(2)36-50(58)68(14,15)16)64(60-53(71(23,24)25)39-44(4)40-54(60)72(26,27)28)63(61)59-51(69(17,18)19)37-43(3)38-52(59)70(20,21)22/h29-40H,1-28H3