5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tris(4-pyridyl)-21,22-dihydroporphine Formula: C47H37N7 MolecularWeight: 699.84358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3

Isomeric SMILES

CCCC/C=C/C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3

InChI

InChI=1S/C47H37N7/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/h5-30,51-52H,2-4H2,1H3/b6-5+,44-36?,44-37?,45-38?,45-40?,46-39?,46-41?,47-42?,47-43?