5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbonitrile

Systemtic Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbonitrile Openeye Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbonitrile CAS Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbonitrile IUPAC Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbonitrile Traditional Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphine-2-carbonitrile Formula: C45H29N5 MolecularWeight: 639.74526

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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=CC=C7)C8=CC=CC=C8)C#N)C9=CC=CC=C9)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=CC=C7)C8=CC=CC=C8)C#N)C9=CC=CC=C9)N3

InChI

InChI=1S/C45H29N5/c46-28-33-27-40-43(31-17-9-3-10-18-31)38-24-23-36(48-38)41(29-13-5-1-6-14-29)34-21-22-35(47-34)42(30-15-7-2-8-16-30)37-25-26-39(49-37)44(45(33)50-40)32-19-11-4-12-20-32/h1-27,48,50H