4-[3,5-bis(4-cyanophenyl)-7-[4-(2-trimethylsilylethynyl)phenyl]-1-adamantyl]benzenecarbonitrile

Systemtic Name: 4-[3,5-bis(4-cyanophenyl)-7-[4-(2-trimethylsilylethynyl)phenyl]-1-adamantyl]benzenecarbonitrile Openeye Name: 4-[3,5-bis(4-cyanophenyl)-7-[4-(2-trimethylsilylethynyl)phenyl]-1-adamantyl]benzonitrile CAS Name: 4-[3,5-bis(4-cyanophenyl)-7-[4-(2-trimethylsilylethynyl)phenyl]-1-adamantyl]benzonitrile IUPAC Name: 4-[3,5-bis(4-cyanophenyl)-7-[4-(2-trimethylsilylethynyl)phenyl]-1-adamantyl]benzonitrile Traditional Name: 4-[3,5-bis(4-cyanophenyl)-7-[4-(2-trimethylsilylethynyl)phenyl]-1-adamantyl]benzonitrile Formula: C42H37N3Si MolecularWeight: 611.84878

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)C#CC1=CC=C(C=C1)C23CC4(CC(C2)(CC(C3)(C4)C5=CC=C(C=C5)C#N)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N

Isomeric SMILES

C[Si](C)(C)C#CC1=CC=C(C=C1)C23CC4(CC(C2)(CC(C3)(C4)C5=CC=C(C=C5)C#N)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N

InChI

InChI=1S/C42H37N3Si/c1-46(2,3)21-20-31-4-12-35(13-5-31)39-25-40(36-14-6-32(22-43)7-15-36)28-41(26-39,37-16-8-33(23-44)9-17-37)30-42(27-39,29-40)38-18-10-34(24-45)11-19-38/h4-19H,25-30H2,1-3H3