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

Systemtic Name: 2-[6,9-bis(3-methyl-3-oxidanyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6,9-bis(3-hydroxy-3-methyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6,9-bis(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6,9-bis(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6,9-bis(3-hydroxy-3-methyl-but-1-ynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C33H24N4O2 MolecularWeight: 508.56926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H24N4O2/c1-32(2,38)14-12-20-8-10-24-26(16-20)27-17-21(13-15-33(3,4)39)9-11-25(27)30-29(24)36-31(37-30)28-22(18-34)6-5-7-23(28)19-35/h5-11,16-17,38-39H,1-4H3,(H,36,37)