5-(2-bromanylpyridin-4-yl)-10,15,20-triheptyl-21,22-dihydroporphyrin

Systemtic Name: 5-(2-bromanylpyridin-4-yl)-10,15,20-triheptyl-21,22-dihydroporphyrin Openeye Name: 5-(2-bromo-4-pyridyl)-10,15,20-triheptyl-21,22-dihydroporphyrin CAS Name: 5-(2-bromo-4-pyridinyl)-10,15,20-triheptyl-21,22-dihydroporphyrin IUPAC Name: 5-(2-bromopyridin-4-yl)-10,15,20-triheptyl-21,22-dihydroporphyrin Traditional Name: 5-(2-bromo-4-pyridyl)-10,15,20-triheptyl-21,22-dihydroporphine Formula: C46H58BrN5 MolecularWeight: 760.89022

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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)Br)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)Br)N2

InChI

InChI=1S/C46H58BrN5/c1-4-7-10-13-16-19-34-37-22-24-39(49-37)35(20-17-14-11-8-5-2)41-26-28-43(51-41)46(33-30-31-48-45(47)32-33)44-29-27-42(52-44)36(21-18-15-12-9-6-3)40-25-23-38(34)50-40/h22-32,51-52H,4-21H2,1-3H3