N-hexyl-4-[15-[4-(hexylamino)phenyl]-21,22-dihydroporphyrin-5-yl]aniline

Systemtic Name: N-hexyl-4-[15-[4-(hexylamino)phenyl]-21,22-dihydroporphyrin-5-yl]aniline Openeye Name: N-hexyl-4-[15-[4-(hexylamino)phenyl]-21,22-dihydroporphyrin-5-yl]aniline CAS Name: N-hexyl-4-[15-[4-(hexylamino)phenyl]-21,22-dihydroporphyrin-5-yl]aniline IUPAC Name: N-hexyl-4-[15-[4-(hexylamino)phenyl]-21,22-dihydroporphyrin-5-yl]aniline Traditional Name: hexyl-[4-[15-[4-(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=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)NCCCCCC)C=C4)N3

Isomeric SMILES

CCCCCCNC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)NCCCCCC)C=C4)N3

InChI

InChI=1S/C44H48N6/c1-3-5-7-9-27-45-33-15-11-31(12-16-33)43-39-23-19-35(47-39)29-37-21-25-41(49-37)44(32-13-17-34(18-14-32)46-28-10-8-6-4-2)42-26-22-38(50-42)30-36-20-24-40(43)48-36/h11-26,29-30,45-48H,3-10,27-28H2,1-2H3