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

Systemtic Name: 10,20-dibutyl-5-(4-iodophenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 10,20-dibutyl-5-(4-iodophenyl)-15-(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 10,20-dibutyl-5-(4-iodophenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 10,20-dibutyl-5-(4-iodophenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 10,20-dibutyl-5-(4-iodophenyl)-15-(4-pyridyl)-21,22-dihydroporphine Formula: C39H36IN5 MolecularWeight: 701.64111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=NC=C6)CCCC)C7=CC=C(C=C7)I)N2

Isomeric SMILES

CCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=NC=C6)CCCC)C7=CC=C(C=C7)I)N2

InChI

InChI=1S/C39H36IN5/c1-3-5-7-28-30-13-17-34(42-30)38(25-9-11-27(40)12-10-25)35-18-14-31(43-35)29(8-6-4-2)33-16-20-37(45-33)39(26-21-23-41-24-22-26)36-19-15-32(28)44-36/h9-24,42-43H,3-8H2,1-2H3