5-butyl-15-(4-iodanylbutyl)-10,20-diphenyl-porphyrin-23,24-diide; nickel(2+)

Systemtic Name: 5-butyl-15-(4-iodanylbutyl)-10,20-diphenyl-porphyrin-23,24-diide; nickel(2+) Openeye Name: nickelous 5-butyl-15-(4-iodobutyl)-10,20-diphenyl-porphyrin-23,24-diide CAS Name: 5-butyl-15-(4-iodobutyl)-10,20-diphenylporphyrin-23,24-diide; nickel(2+) IUPAC Name: 5-butyl-15-(4-iodobutyl)-10,20-diphenylporphyrin-23,24-diide; nickel(2+) Traditional Name: nickelous 5-butyl-15-(4-iodobutyl)-10,20-diphenyl-porphine-23,24-diide Formula: C40H35IN4Ni MolecularWeight: 757.33057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)CCCCI)[N-]3)C7=CC=CC=C7.[Ni+2]

Isomeric SMILES

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)CCCCI)[N-]3)C7=CC=CC=C7.[Ni+2]

InChI

InChI=1S/C40H35IN4.Ni/c1-2-3-16-29-31-18-22-35(42-31)39(27-12-6-4-7-13-27)37-24-20-33(44-37)30(17-10-11-26-41)34-21-25-38(45-34)40(28-14-8-5-9-15-28)36-23-19-32(29)43-36;/h4-9,12-15,18-25H,2-3,10-11,16-17,26H2,1H3;/q-2;+2