4-[15-(4-cyanophenyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[15-(4-cyanophenyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]benzenecarbonitrile Openeye Name: 4-[15-(4-cyanophenyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]benzonitrile CAS Name: 4-[15-(4-cyanophenyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]benzonitrile IUPAC Name: 4-[15-(4-cyanophenyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]benzonitrile Traditional Name: 4-[15-(4-cyanophenyl)-10,20-diphenyl-21,22-dihydroporphin-5-yl]benzonitrile Formula: C46H28N6 MolecularWeight: 664.75472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=CC=C8)C9=CC=C(C=C9)C#N)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=CC=C8)C9=CC=C(C=C9)C#N)N3

InChI

InChI=1S/C46H28N6/c47-27-29-11-15-33(16-12-29)45-39-23-19-35(49-39)43(31-7-3-1-4-8-31)36-20-24-40(50-36)46(34-17-13-30(28-48)14-18-34)42-26-22-38(52-42)44(32-9-5-2-6-10-32)37-21-25-41(45)51-37/h1-26,49,51H