2-[(1-cyanophenanthren-3-yl)methyl]phenanthrene-1-carbonitrile

Systemtic Name: 2-[(1-cyanophenanthren-3-yl)methyl]phenanthrene-1-carbonitrile Openeye Name: 2-[(1-cyano-3-phenanthryl)methyl]phenanthrene-1-carbonitrile CAS Name: 2-[(1-cyano-3-phenanthrenyl)methyl]-1-phenanthrenecarbonitrile IUPAC Name: 2-[(1-cyanophenanthren-3-yl)methyl]phenanthrene-1-carbonitrile Traditional Name: 2-[(1-cyano-3-phenanthryl)methyl]phenanthrene-1-carbonitrile Formula: C31H18N2 MolecularWeight: 418.48802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3C#N)CC4=CC5=C(C=CC6=CC=CC=C65)C(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3C#N)CC4=CC5=C(C=CC6=CC=CC=C65)C(=C4)C#N

InChI

InChI=1S/C31H18N2/c32-18-24-16-20(17-30-26-8-4-2-6-22(26)9-12-27(24)30)15-23-11-14-28-25-7-3-1-5-21(25)10-13-29(28)31(23)19-33/h1-14,16-17H,15H2