10,20-diheptyl-5-(4-iodophenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 10,20-diheptyl-5-(4-iodophenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 10,20-diheptyl-5-(4-iodophenyl)-15-(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 10,20-diheptyl-5-(4-iodophenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 10,20-diheptyl-5-(4-iodophenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 10,20-diheptyl-5-(4-iodophenyl)-15-(4-pyridyl)-21,22-dihydroporphine Formula: C45H48IN5 MolecularWeight: 785.80059

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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)C6=CC=NC=C6)CCCCCCC)C7=CC=C(C=C7)I)N2

Isomeric SMILES

CCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=NC=C6)CCCCCCC)C7=CC=C(C=C7)I)N2

InChI

InChI=1S/C45H48IN5/c1-3-5-7-9-11-13-34-36-19-23-40(48-36)44(31-15-17-33(46)18-16-31)41-24-20-37(49-41)35(14-12-10-8-6-4-2)39-22-26-43(51-39)45(32-27-29-47-30-28-32)42-25-21-38(34)50-42/h15-30,48-49H,3-14H2,1-2H3