4-(5,15-diphenyl-22,24-dihydro-21H-corrin-10-yl)benzenecarbonitrile

Systemtic Name: 4-(5,15-diphenyl-22,24-dihydro-21H-corrin-10-yl)benzenecarbonitrile Openeye Name: 4-(5,15-diphenyl-22,24-dihydro-21H-corrin-10-yl)benzonitrile CAS Name: 4-(5,15-diphenyl-22,24-dihydro-21H-corrin-10-yl)benzonitrile IUPAC Name: 4-(5,15-diphenyl-22,24-dihydro-21H-corrin-10-yl)benzonitrile Traditional Name: 4-(5,15-diphenyl-22,24-dihydro-21H-corrin-10-yl)benzonitrile Formula: C38H25N5 MolecularWeight: 551.6386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C6=CC=C2N6)C7=CC=CC=C7)C=C4)C8=CC=C(C=C8)C#N)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C6=CC=C2N6)C7=CC=CC=C7)C=C4)C8=CC=C(C=C8)C#N)N3

InChI

InChI=1S/C38H25N5/c39-23-24-11-13-27(14-12-24)38-34-21-19-32(42-34)36(25-7-3-1-4-8-25)30-17-15-28(40-30)29-16-18-31(41-29)37(26-9-5-2-6-10-26)33-20-22-35(38)43-33/h1-22,40-42H