2-[6-chloranyl-9-(2-pyridin-3-ylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-[6-chloranyl-9-(2-pyridin-3-ylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-[2-(3-pyridyl)ethynyl]-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-[2-(3-pyridinyl)ethynyl]-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(2-pyridin-3-ylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-[2-(3-pyridyl)ethynyl]-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C30H14ClN5 MolecularWeight: 479.91866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C#N)C2=NC3=C(N2)C4=C(C=C(C=C4)C#CC5=CN=CC=C5)C6=C3C=CC(=C6)Cl)C#N

Isomeric SMILES

C1=CC(=C(C(=C1)C#N)C2=NC3=C(N2)C4=C(C=C(C=C4)C#CC5=CN=CC=C5)C6=C3C=CC(=C6)Cl)C#N

InChI

InChI=1S/C30H14ClN5/c31-22-9-11-24-26(14-22)25-13-18(6-7-19-3-2-12-34-17-19)8-10-23(25)28-29(24)36-30(35-28)27-20(15-32)4-1-5-21(27)16-33/h1-5,8-14,17H,(H,35,36)