R0I

1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene]

Created:2022-11-21
Last modified:  2023-02-22

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Chemical Details

Formal Charge3
Atom Count58
Chiral Atom Count0
Bond Count64
Aromatic Bond Count10
2D diagram of R0I

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Chemical Component Summary

Name1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene]
Systematic Name (OpenEye OEToolkits)1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene]
FormulaC24 H26 N7 Pt
Molecular Weight607.588
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cn1c(c[n+](C)c1[Pt++]2(C)N3C(=CC=C4C=CC5=CC=C(C)N2C5=C34)C)c6[nH]nnc6.C=C
SMILESOpenEye OEToolkits3.1.0.0CC1=CC=C2C=CC3=CC=C(N4C3=C2N1[Pt+2]45(C=C5)(C)c6n(c(c[n+]6C)c7cnn[nH]7)C)C
Canonical SMILESCACTVS3.385 Cn1c(c[n+](C)c1[Pt++]2(C)N3C(=CC=C4C=CC5=CC=C(C)N2C5=C34)C)c6[nH]nnc6.C=C
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC1=CC=C2C=CC3=CC=C(N4C3=C2N1[Pt+2]45(C=C5)(C)c6n(c(c[n+]6C)c7cnn[nH]7)C)C
InChIInChI1.06 InChI=1S/C14H12N2.C7H9N5.C2H2.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-11-4-7(12(2)5-11)6-3-8-10-9-6;1-2;;/h3-8H,1-2H3;3-4H,1-2H3,(H,8,9,10);1-2H;1H3;/q-2;+1;;;+4
InChIKeyInChI1.06 DGCRSFURYLTMIA-UHFFFAOYSA-N