Delta-Bis(2,2'-Bipyridine)-(5-Methyl-2-2'-Bipyridine)-C2-Adamantane Ruthenium (II)

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: ChemBase ID: 2379; Molecular Formular: C54H53F8N7Ru++; Molecular Mass: 1053.1027456; Monoisotopic Mass: 1053.32781949
SMILES and InChIs

SMILES:
CC1CCN2C(C1)C1CC(Cc3c(F)c(F)c(c(F)c3F)c3c(F)c(F)c(N[C@H]4[C@@H]5C[C@@H]6C[C@@H](C5)C[C@@H]4C6)c(F)c3F)CCN1[Ru+2]132(n2ccccc2=c2ccccn12)n1ccccc1=c1ccccn31
Canonical SMILES:
CC1CCN2C(C1)C1CC(CCN1[Ru+2]132(n2ccccc2=c2n3cccc2)n2ccccc2=c2n1cccc2)Cc1c(F)c(F)c(c(c1F)F)c1c(F)c(F)c(c(c1F)F)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@H](C2)C3
InChI:
InChI=1S/C34H37F8N3.2C10H8N2.Ru/c1-14-2-4-43-21(6-14)22-13-15(3-5-44-22)12-20-25(35)27(37)23(28(38)26(20)36)24-29(39)31(41)34(32(42)30(24)40)45-33-18-8-16-7-17(10-18)11-19(33)9-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h14-19,21-22,33,45H,2-13H2,1H3;2*1-8H;/q3*-2;+8/b;2*10-9-;/t14?,15?,16-,17+,18-,19+,21?,22?,33-;;;
InChIKey:
DTGBEIUVPGWUFK-HMOFBJIVSA-N
Cite this record CBID:2379 http://www.chembase.cn/molecule-2379.html