2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin pentachloride

Systemtic Name: 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin pentachloride Openeye Name: 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin pentachloride CAS Name: 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin pentachloride IUPAC Name: 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin pentachloride Traditional Name: 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphine pentachloride Formula: C130H105Cl5N25-5 MolecularWeight: 2194.6572

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6.CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6.CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6.CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6.CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6.CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6.CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6.CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6.CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/5C26H21N5.5ClH/c5*1-31-10-8-17(9-11-31)25-15-24-14-22-5-4-20(28-22)12-18-2-3-19(27-18)13-21-6-7-23(29-21)16-26(25)30-24;;;;;/h5*2-10,12-16,28,30H,11H2,1H3;5*1H/p-5