1-phenyl-4-propan-2-yl-benzene; ruthenium; 5,10,15,20-tetrapyridin-4-yl-21,22-dihydroporphyrin; octachloride

Systemtic Name: 1-phenyl-4-propan-2-yl-benzene; ruthenium; 5,10,15,20-tetrapyridin-4-yl-21,22-dihydroporphyrin; octachloride Openeye Name: 1-isopropyl-4-phenyl-benzene; ruthenium; 5,10,15,20-tetrakis(4-pyridyl)-21,22-dihydroporphyrin; octachloride CAS Name: 1-phenyl-4-propan-2-ylbenzene; ruthenium; 5,10,15,20-tetrapyridin-4-yl-21,22-dihydroporphyrin; octachloride IUPAC Name: 1-phenyl-4-propan-2-ylbenzene; ruthenium; 5,10,15,20-tetrapyridin-4-yl-21,22-dihydroporphyrin; octachloride Traditional Name: 1-isopropyl-4-phenyl-benzene; ruthenium; 5,10,15,20-tetrakis(4-pyridyl)-21,22-dihydroporphine; octachloride Formula: C100H90Cl8N8Ru4-8 MolecularWeight: 2091.7422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CC=CC=C2.CC(C)C1=CC=C(C=C1)C2=CC=CC=C2.CC(C)C1=CC=C(C=C1)C2=CC=CC=C2.CC(C)C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=NC=C9.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru].[Ru].[Ru].[Ru]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CC=CC=C2.CC(C)C1=CC=C(C=C1)C2=CC=CC=C2.CC(C)C1=CC=C(C=C1)C2=CC=CC=C2.CC(C)C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=NC=C9.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru].[Ru].[Ru].[Ru]

InChI

InChI=1S/C40H26N8.4C15H16.8ClH.4Ru/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;4*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;;;;;;;;;;;;/h1-24,45-46H;4*3-12H,1-2H3;8*1H;;;;/p-8