benzene; 3-[4-(2-isoquinolin-3-yl-3-methyl-6-phenyl-pyridin-4-yl)-3-methyl-6-phenyl-pyridin-2-yl]isoquinoline; platinum(2+)

Systemtic Name: benzene; 3-[4-(2-isoquinolin-3-yl-3-methyl-6-phenyl-pyridin-4-yl)-3-methyl-6-phenyl-pyridin-2-yl]isoquinoline; platinum(2+) Openeye Name: benzene; 3-[4-[2-(3-isoquinolyl)-3-methyl-6-phenyl-4-pyridyl]-3-methyl-6-phenyl-2-pyridyl]isoquinoline; platinum(2+) CAS Name: benzene; 3-[4-[2-(3-isoquinolinyl)-3-methyl-6-phenyl-4-pyridinyl]-3-methyl-6-phenyl-2-pyridinyl]isoquinoline; platinum(2+) IUPAC Name: benzene; 3-[4-(2-isoquinolin-3-yl-3-methyl-6-phenylpyridin-4-yl)-3-methyl-6-phenylpyridin-2-yl]isoquinoline; platinum(2+) Traditional Name: benzene; 3-[4-[2-(3-isoquinolyl)-3-methyl-6-phenyl-4-pyridyl]-3-methyl-6-phenyl-2-pyridyl]isoquinoline; platinum(2+) Formula: C54H38N4Pt2 MolecularWeight: 1133.06232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C=C1C2=CC(=NC(=C2C)C3=CC4=CC=CC=C4C=N3)C5=CC=CC=[C-]5)C6=CC=CC=[C-]6)C7=CC8=CC=CC=C8C=N7.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Pt+2].[Pt+2]

Isomeric SMILES

CC1=C(N=C(C=C1C2=CC(=NC(=C2C)C3=CC4=CC=CC=C4C=N3)C5=CC=CC=[C-]5)C6=CC=CC=[C-]6)C7=CC8=CC=CC=C8C=N7.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Pt+2].[Pt+2]

InChI

InChI=1S/C42H28N4.2C6H5.2Pt/c1-27-35(23-37(29-13-5-3-6-14-29)45-41(27)39-21-31-17-9-11-19-33(31)25-43-39)36-24-38(30-15-7-4-8-16-30)46-42(28(36)2)40-22-32-18-10-12-20-34(32)26-44-40;2*1-2-4-6-5-3-1;;/h3-13,15,17-26H,1-2H3;2*1-5H;;/q-2;2*-1;2*+2