1,2,3,4-tetrakis(4-tert-butylphenyl)-5-[2-(2-ethynylphenyl)phenyl]benzene

Systemtic Name: 1,2,3,4-tetrakis(4-tert-butylphenyl)-5-[2-(2-ethynylphenyl)phenyl]benzene Openeye Name: 1,2,3,4-tetrakis(4-tert-butylphenyl)-5-[2-(2-ethynylphenyl)phenyl]benzene CAS Name: 1,2,3,4-tetrakis(4-tert-butylphenyl)-5-[2-(2-ethynylphenyl)phenyl]benzene IUPAC Name: 1,2,3,4-tetrakis(4-tert-butylphenyl)-5-[2-(2-ethynylphenyl)phenyl]benzene Traditional Name: 1,2,3,4-tetrakis(4-tert-butylphenyl)-5-[2-(2-ethynylphenyl)phenyl]benzene Formula: C60H62 MolecularWeight: 783.13428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C(=C2C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)C(C)(C)C)C6=CC=CC=C6C7=CC=CC=C7C#C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C(=C2C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)C(C)(C)C)C6=CC=CC=C6C7=CC=CC=C7C#C

InChI

InChI=1S/C60H62/c1-14-40-19-15-16-20-49(40)50-21-17-18-22-51(50)53-39-52(41-23-31-45(32-24-41)57(2,3)4)54(42-25-33-46(34-26-42)58(5,6)7)56(44-29-37-48(38-30-44)60(11,12)13)55(53)43-27-35-47(36-28-43)59(8,9)10/h1,15-39H,2-13H3