DVW

five-coordinate platinum(II) compound

Created:2018-02-02
Last modified:  2018-04-25

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Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count5
Bond Count78
Aromatic Bond Count26
2D diagram of DVW

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Chemical Component Summary

Namefive-coordinate platinum(II) compound
FormulaC27 H31 N7 O5 Pt
Molecular Weight728.657
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cn1cncc1c2cn(nn2)C3OC(O)C(O)C(O)C3O.Cc4ccc5ccc6ccc(C)nc6c5n4.C7C[Pt]7
SMILESOpenEye OEToolkits2.0.6CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45(CC5)[N]6=CN(C(=C6)c7cn(nn7)C8C(C(C(C(O8)O)O)O)O)C)C
Canonical SMILESCACTVS3.385 Cn1cncc1c2cn(nn2)C3OC(O)C(O)C(O)C3O.Cc4ccc5ccc6ccc(C)nc6c5n4.C7C[Pt]7
Canonical SMILESOpenEye OEToolkits2.0.6 CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45(CC5)[N]6=CN(C(=C6)c7cn(nn7)[C@@H]8[C@H]([C@H]([C@H]([C@H](O8)O)O)O)O)C)C
InChIInChI1.03 InChI=1S/C14H12N2.C11H15N5O5.C2H4.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-15-4-12-2-6(15)5-3-16(14-13-5)10-8(18)7(17)9(19)11(20)21-10;1-2;/h3-8H,1-2H3;2-4,7-11,17-20H,1H3;1-2H2;
InChIKeyInChI1.03 OIWCYKKCLNXBBS-UHFFFAOYSA-N