N-hexyl-2-[15-[2-(hexylamino)phenyl]-21,22-dihydroporphyrin-5-yl]aniline

Systemtic Name: N-hexyl-2-[15-[2-(hexylamino)phenyl]-21,22-dihydroporphyrin-5-yl]aniline Openeye Name: N-hexyl-2-[15-[2-(hexylamino)phenyl]-21,22-dihydroporphyrin-5-yl]aniline CAS Name: N-hexyl-2-[15-[2-(hexylamino)phenyl]-21,22-dihydroporphyrin-5-yl]aniline IUPAC Name: N-hexyl-2-[15-[2-(hexylamino)phenyl]-21,22-dihydroporphyrin-5-yl]aniline Traditional Name: hexyl-[2-[15-[2-(hexylamino)phenyl]-21,22-dihydroporphin-5-yl]phenyl]amine Formula: C44H48N6 MolecularWeight: 660.89212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=CC=C7NCCCCCC)C=C4)N3

Isomeric SMILES

CCCCCCNC1=CC=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=CC=C7NCCCCCC)C=C4)N3

InChI

InChI=1S/C44H48N6/c1-3-5-7-13-27-45-37-17-11-9-15-35(37)43-39-23-19-31(47-39)29-33-21-25-41(49-33)44(36-16-10-12-18-38(36)46-28-14-8-6-4-2)42-26-22-34(50-42)30-32-20-24-40(43)48-32/h9-12,15-26,29-30,45-48H,3-8,13-14,27-28H2,1-2H3