3-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(2,3,4,5,6-pentakis-phenylphenyl)phthalonitrile CAS Name: 3-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(2,3,4,5,6-pentakis-phenylphenyl)phthalonitrile Formula: C44H28N2 MolecularWeight: 584.70652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC(=C5C#N)C#N)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC(=C5C#N)C#N)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C44H28N2/c45-29-36-27-16-28-37(38(36)30-46)44-42(34-23-12-4-13-24-34)40(32-19-8-2-9-20-32)39(31-17-6-1-7-18-31)41(33-21-10-3-11-22-33)43(44)35-25-14-5-15-26-35/h1-28H