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

Systemtic Name: 2-[6,9-bis(2-cyclopropylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6,9-bis(2-cyclopropylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6,9-bis(2-cyclopropylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6,9-bis(2-cyclopropylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6,9-bis(2-cyclopropylethynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C33H20N4 MolecularWeight: 472.5387

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2=CC3=C(C=C2)C4=C(C5=C3C=C(C=C5)C#CC6CC6)N=C(N4)C7=C(C=CC=C7C#N)C#N

Isomeric SMILES

C1CC1C#CC2=CC3=C(C=C2)C4=C(C5=C3C=C(C=C5)C#CC6CC6)N=C(N4)C7=C(C=CC=C7C#N)C#N

InChI

InChI=1S/C33H20N4/c34-18-24-2-1-3-25(19-35)30(24)33-36-31-26-14-12-22(10-8-20-4-5-20)16-28(26)29-17-23(11-9-21-6-7-21)13-15-27(29)32(31)37-33/h1-3,12-17,20-21H,4-7H2,(H,36,37)