1,2,3,4-tetrakis(2,4-ditert-butyl-5-methyl-phenyl)biphenylene

Systemtic Name: 1,2,3,4-tetrakis(2,4-ditert-butyl-5-methyl-phenyl)biphenylene Openeye Name: 1,2,3,4-tetrakis(2,4-ditert-butyl-5-methyl-phenyl)biphenylene CAS Name: 1,2,3,4-tetrakis(2,4-ditert-butyl-5-methylphenyl)biphenylene IUPAC Name: 1,2,3,4-tetrakis(2,4-ditert-butyl-5-methylphenyl)biphenylene Traditional Name: 1,2,3,4-tetrakis(2,4-ditert-butyl-5-methyl-phenyl)biphenylene Formula: C72H96 MolecularWeight: 961.53264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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