15-nonyl-5,10,20-tris(2-pyridin-2-ylethynyl)-21,22-dihydroporphyrin

Systemtic Name: 15-nonyl-5,10,20-tris(2-pyridin-2-ylethynyl)-21,22-dihydroporphyrin Openeye Name: 15-nonyl-5,10,20-tris[2-(2-pyridyl)ethynyl]-21,22-dihydroporphyrin CAS Name: 15-nonyl-5,10,20-tris[2-(2-pyridinyl)ethynyl]-21,22-dihydroporphyrin IUPAC Name: 15-nonyl-5,10,20-tris(2-pyridin-2-ylethynyl)-21,22-dihydroporphyrin Traditional Name: 15-nonyl-5,10,20-tris[2-(2-pyridyl)ethynyl]-21,22-dihydroporphine Formula: C50H41N7 MolecularWeight: 739.90744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C#CC6=CC=CC=N6)C#CC7=CC=CC=N7)N3)C#CC8=CC=CC=N8

Isomeric SMILES

CCCCCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C#CC6=CC=CC=N6)C#CC7=CC=CC=N7)N3)C#CC8=CC=CC=N8

InChI

InChI=1S/C50H41N7/c1-2-3-4-5-6-7-8-18-39-43-25-27-45(54-43)40(22-19-36-15-9-12-33-51-36)47-29-31-49(56-47)42(24-21-38-17-11-14-35-53-38)50-32-30-48(57-50)41(46-28-26-44(39)55-46)23-20-37-16-10-13-34-52-37/h9-17,25-35,56-57H,2-8,18H2,1H3