4,5-bis[4-(triphenylmethyl)phenoxy]benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis[4-(triphenylmethyl)phenoxy]benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis(4-tritylphenoxy)phthalonitrile CAS Name: 4,5-bis[4-(triphenylmethyl)phenoxy]benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis(4-tritylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis(4-tritylphenoxy)phthalonitrile Formula: C58H40N2O2 MolecularWeight: 796.9504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)OC5=C(C=C(C(=C5)C#N)C#N)OC6=CC=C(C=C6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)OC5=C(C=C(C(=C5)C#N)C#N)OC6=CC=C(C=C6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C58H40N2O2/c59-41-43-39-55(61-53-35-31-51(32-36-53)57(45-19-7-1-8-20-45,46-21-9-2-10-22-46)47-23-11-3-12-24-47)56(40-44(43)42-60)62-54-37-33-52(34-38-54)58(48-25-13-4-14-26-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-40H