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

Systemtic Name: 15-pentyl-5,10,20-tris(2-pyridin-2-ylethynyl)-21,22-dihydroporphyrin Openeye Name: 15-pentyl-5,10,20-tris[2-(2-pyridyl)ethynyl]-21,22-dihydroporphyrin CAS Name: 15-pentyl-5,10,20-tris[2-(2-pyridinyl)ethynyl]-21,22-dihydroporphyrin IUPAC Name: 15-pentyl-5,10,20-tris(2-pyridin-2-ylethynyl)-21,22-dihydroporphyrin Traditional Name: 15-amyl-5,10,20-tris[2-(2-pyridyl)ethynyl]-21,22-dihydroporphine Formula: C46H33N7 MolecularWeight: 683.80112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=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

CCCCCC1=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/C46H33N7/c1-2-3-4-14-35-39-21-23-41(50-39)36(18-15-32-11-5-8-29-47-32)43-25-27-45(52-43)38(20-17-34-13-7-10-31-49-34)46-28-26-44(53-46)37(42-24-22-40(35)51-42)19-16-33-12-6-9-30-48-33/h5-13,21-31,52-53H,2-4,14H2,1H3