4-[2,2,3-tris(4-cyanophenyl)-1-adamantyl]benzenecarbonitrile

Systemtic Name: 4-[2,2,3-tris(4-cyanophenyl)-1-adamantyl]benzenecarbonitrile Openeye Name: 4-[2,2,3-tris(4-cyanophenyl)-1-adamantyl]benzonitrile CAS Name: 4-[2,2,3-tris(4-cyanophenyl)-1-adamantyl]benzonitrile IUPAC Name: 4-[2,2,3-tris(4-cyanophenyl)-1-adamantyl]benzonitrile Traditional Name: 4-[2,2,3-tris(4-cyanophenyl)-1-adamantyl]benzonitrile Formula: C38H28N4 MolecularWeight: 540.65572

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3(C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C#N)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3(C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C#N)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N

InChI

InChI=1S/C38H28N4/c39-22-26-1-9-32(10-2-26)36-18-30-17-31(19-36)21-37(20-30,33-11-3-27(23-40)4-12-33)38(36,34-13-5-28(24-41)6-14-34)35-15-7-29(25-42)8-16-35/h1-16,30-31H,17-21H2