zinc 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tripyridin-4-yl-porphyrin-23,24-diide

Systemtic Name: zinc 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tripyridin-4-yl-porphyrin-23,24-diide Openeye Name: zinc 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tris(4-pyridyl)porphyrin-23,24-diide CAS Name: zinc 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tripyridin-4-ylporphyrin-23,24-diide IUPAC Name: zinc 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tripyridin-4-ylporphyrin-23,24-diide Traditional Name: zinc 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tris(4-pyridyl)porphine-23,24-diide Formula: C47H35N7Zn MolecularWeight: 763.2367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=NC=C8)[N-]4)C9=CC=NC=C9.[Zn+2]

Isomeric SMILES

CCCC/C=C/C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=NC=C8)[N-]4)C9=CC=NC=C9.[Zn+2]

InChI

InChI=1S/C47H35N7.Zn/c1-2-3-4-5-6-31-7-9-32(10-8-31)44-36-11-13-38(51-36)45(33-19-25-48-26-20-33)40-15-17-42(53-40)47(35-23-29-50-30-24-35)43-18-16-41(54-43)46(34-21-27-49-28-22-34)39-14-12-37(44)52-39;/h5-30H,2-4H2,1H3;/q-2;+2/b6-5+,44-36?,44-37?,45-38?,45-40?,46-39?,46-41?,47-42?,47-43?;