4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]phthalonitrile CAS Name: 4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]phthalonitrile Formula: C40H44N2 MolecularWeight: 552.79076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C#CC2=CC(=C(C=C2C#CC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C#N)C#N)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C#CC2=CC(=C(C=C2C#CC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C#N)C#N)C(C)(C)C

InChI

InChI=1S/C40H44N2/c1-37(2,3)33-17-27(18-34(23-33)38(4,5)6)13-15-29-21-31(25-41)32(26-42)22-30(29)16-14-28-19-35(39(7,8)9)24-36(20-28)40(10,11)12/h17-24H,1-12H3