10,15,20-triheptyl-5-pyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-triheptyl-5-pyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 10,15,20-triheptyl-5-(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 10,15,20-triheptyl-5-pyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 10,15,20-triheptyl-5-pyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 10,15,20-triheptyl-5-(4-pyridyl)-21,22-dihydroporphine Formula: C46H59N5 MolecularWeight: 681.99416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCC)CCCCCCC)C6=CC=NC=C6)N2

Isomeric SMILES

CCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCC)CCCCCCC)C6=CC=NC=C6)N2

InChI

InChI=1S/C46H59N5/c1-4-7-10-13-16-19-35-38-22-24-40(48-38)36(20-17-14-11-8-5-2)42-26-28-44(50-42)46(34-30-32-47-33-31-34)45-29-27-43(51-45)37(21-18-15-12-9-6-3)41-25-23-39(35)49-41/h22-33,50-51H,4-21H2,1-3H3