4-[3,5,7-tris(4-cyanophenyl)-1-adamantyl]benzenecarbonitrile

Systemtic Name: 4-[3,5,7-tris(4-cyanophenyl)-1-adamantyl]benzenecarbonitrile Openeye Name: 4-[3,5,7-tris(4-cyanophenyl)-1-adamantyl]benzonitrile CAS Name: 4-[3,5,7-tris(4-cyanophenyl)-1-adamantyl]benzonitrile IUPAC Name: 4-[3,5,7-tris(4-cyanophenyl)-1-adamantyl]benzonitrile Traditional Name: 4-[3,5,7-tris(4-cyanophenyl)-1-adamantyl]benzonitrile Formula: C38H28N4 MolecularWeight: 540.65572

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(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

C1C2(CC3(CC1(CC(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/c39-17-27-1-9-31(10-2-27)35-21-36(32-11-3-28(18-40)4-12-32)24-37(22-35,33-13-5-29(19-41)6-14-33)26-38(23-35,25-36)34-15-7-30(20-42)8-16-34/h1-16H,21-26H2