1-piperidin-1-id-4-yl-N-(piperidin-1-id-4-ylmethylideneamino)methanimine; 5,10,15,20-tetracyclohexylporphyrin-22,24-diide; zinc

Systemtic Name: 1-piperidin-1-id-4-yl-N-(piperidin-1-id-4-ylmethylideneamino)methanimine; 5,10,15,20-tetracyclohexylporphyrin-22,24-diide; zinc Openeye Name: 1-piperidin-1-id-4-yl-N-(piperidin-1-id-4-ylmethyleneamino)methanimine; 5,10,15,20-tetracyclohexylporphyrin-22,24-diide; zinc CAS Name: 1-(4-piperidin-1-idyl)-N-(4-piperidin-1-idylmethylideneamino)methanimine; 5,10,15,20-tetracyclohexylporphyrin-22,24-diide; zinc IUPAC Name: 1-piperidin-1-id-4-yl-N-(piperidin-1-id-4-ylmethylideneamino)methanimine; 5,10,15,20-tetracyclohexylporphyrin-22,24-diide; zinc Traditional Name: piperidin-1-id-4-ylmethylene-(piperidin-1-id-4-ylmethyleneamino)amine; 5,10,15,20-tetracyclohexylporphine-22,24-diide; zinc Formula: C100H124N12Zn2-6 MolecularWeight: 1624.95296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7CCCCC7)C8CCCCC8)C=C4)C9CCCCC9)[N-]3.C1CCC(CC1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7CCCCC7)C8CCCCC8)C=C4)C9CCCCC9)[N-]3.C1C[N-]CCC1C=NN=CC2CC[N-]CC2.[Zn].[Zn]

Isomeric SMILES

C1CCC(CC1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7CCCCC7)C8CCCCC8)C=C4)C9CCCCC9)[N-]3.C1CCC(CC1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7CCCCC7)C8CCCCC8)C=C4)C9CCCCC9)[N-]3.C1C[N-]CCC1C=NN=CC2CC[N-]CC2.[Zn].[Zn]

InChI

InChI=1S/2C44H52N4.C12H20N4.2Zn/c2*1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12;;/h2*21-32H,1-20H2;9-12H,1-8H2;;/q3*-2;;