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

Systemtic Name: zinc N-hexyl-4-[15-[4-(hexylamino)phenyl]porphyrin-21,22-diid-5-yl]aniline Openeye Name: zinc N-hexyl-4-[15-[4-(hexylamino)phenyl]porphyrin-21,22-diid-5-yl]aniline CAS Name: zinc N-hexyl-4-[15-[4-(hexylamino)phenyl]-5-porphyrin-21,22-diidyl]aniline IUPAC Name: zinc N-hexyl-4-[15-[4-(hexylamino)phenyl]porphyrin-21,22-diid-5-yl]aniline Traditional Name: zinc hexyl-[4-[15-[4-(hexylamino)phenyl]porphine-21,22-diid-5-yl]phenyl]amine Formula: C44H46N6Zn MolecularWeight: 724.28524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7=CC=C(C=C7)NCCCCCC)C=C4)[N-]3.[Zn+2]

Isomeric SMILES

CCCCCCNC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7=CC=C(C=C7)NCCCCCC)C=C4)[N-]3.[Zn+2]

InChI

InChI=1S/C44H46N6.Zn/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;/h11-26,29-30,45-46H,3-10,27-28H2,1-2H3;/q-2;+2