4-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)cyclohex-4-ene-1,2-dicarbonitrile

Systemtic Name: 4-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)cyclohex-4-ene-1,2-dicarbonitrile Openeye Name: 4-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)cyclohex-4-ene-1,2-dicarbonitrile CAS Name: 4-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)cyclohex-4-ene-1,2-dicarbonitrile IUPAC Name: 4-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)cyclohex-4-ene-1,2-dicarbonitrile Traditional Name: 4-(5,10,15,20-tetraphenyl-21,22-dihydroporphin-2-yl)cyclohex-4-ene-1,2-dicarbonitrile Formula: C52H36N6 MolecularWeight: 744.88244

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C#N)C#N)C2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C1C=C(CC(C1C#N)C#N)C2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C52H36N6/c53-31-38-22-21-37(29-39(38)32-54)40-30-47-50(35-17-9-3-10-18-35)45-26-25-43(56-45)48(33-13-5-1-6-14-33)41-23-24-42(55-41)49(34-15-7-2-8-16-34)44-27-28-46(57-44)51(52(40)58-47)36-19-11-4-12-20-36/h1-21,23-28,30,38-39,56,58H,22,29H2