4-[2,3,5,6-tetrakis(4-tert-butylphenyl)-4-(4-cyanophenyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[2,3,5,6-tetrakis(4-tert-butylphenyl)-4-(4-cyanophenyl)phenyl]benzenecarbonitrile Openeye Name: 4-[2,3,5,6-tetrakis(4-tert-butylphenyl)-4-(4-cyanophenyl)phenyl]benzonitrile CAS Name: 4-[2,3,5,6-tetrakis(4-tert-butylphenyl)-4-(4-cyanophenyl)phenyl]benzonitrile IUPAC Name: 4-[2,3,5,6-tetrakis(4-tert-butylphenyl)-4-(4-cyanophenyl)phenyl]benzonitrile Traditional Name: 4-[2,3,5,6-tetrakis(4-tert-butylphenyl)-4-(4-cyanophenyl)phenyl]benzonitrile Formula: C60H60N2 MolecularWeight: 809.1318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)C)C7=CC=C(C=C7)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)C)C7=CC=C(C=C7)C#N

InChI

InChI=1S/C60H60N2/c1-57(2,3)47-29-21-43(22-30-47)53-51(41-17-13-39(37-61)14-18-41)55(45-25-33-49(34-26-45)59(7,8)9)56(46-27-35-50(36-28-46)60(10,11)12)52(42-19-15-40(38-62)16-20-42)54(53)44-23-31-48(32-24-44)58(4,5)6/h13-36H,1-12H3