2-[6,9-bis(2-methyl-2-oxidanyl-propyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-[6,9-bis(2-methyl-2-oxidanyl-propyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6,9-bis(2-hydroxy-2-methyl-propyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6,9-bis(2-hydroxy-2-methylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6,9-bis(2-hydroxy-2-methylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6,9-bis(2-hydroxy-2-methyl-propyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C31H28N4O2 MolecularWeight: 488.57962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)CC(C)(C)O)N=C(N3)C5=C(C=CC=C5C#N)C#N)O

Isomeric SMILES

CC(C)(CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)CC(C)(C)O)N=C(N3)C5=C(C=CC=C5C#N)C#N)O

InChI

InChI=1S/C31H28N4O2/c1-30(2,36)14-18-8-10-22-24(12-18)25-13-19(15-31(3,4)37)9-11-23(25)28-27(22)34-29(35-28)26-20(16-32)6-5-7-21(26)17-33/h5-13,36-37H,14-15H2,1-4H3,(H,34,35)