5,10,15,20-tetrakis(2-ethynylpyridin-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(2-ethynylpyridin-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(2-ethynyl-4-pyridyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(2-ethynyl-4-pyridinyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(2-ethynylpyridin-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(2-ethynyl-4-pyridyl)-21,22-dihydroporphine Formula: C48H26N8 MolecularWeight: 714.77364

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=NC=C7)C#C)C8=CC(=NC=C8)C#C)C9=CC(=NC=C9)C#C)N3

Isomeric SMILES

C#CC1=NC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=NC=C7)C#C)C8=CC(=NC=C8)C#C)C9=CC(=NC=C9)C#C)N3

InChI

InChI=1S/C48H26N8/c1-5-33-25-29(17-21-49-33)45-37-9-11-39(53-37)46(30-18-22-50-34(6-2)26-30)41-13-15-43(55-41)48(32-20-24-52-36(8-4)28-32)44-16-14-42(56-44)47(40-12-10-38(45)54-40)31-19-23-51-35(7-3)27-31/h1-4,9-28,53-54H