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D-MPNN
Coordination Complexes
7058 complexes in database
7058
Total
4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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Ir
Os
Re
Rh
Ru
Ox. State
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Donor atoms
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#5808
Ir(3)
donors: {"N": 6}
C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccccc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
2 meas.
MOL
3D
#5807
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1nc2ccccc2[nH]1.[c-]1ccccc1-c1nc2ccccc2[nH]1.c1ccc(-c2ccccn2)nc1
8 meas.
MOL
3D
#5806
Ir(3)
donors: {"P": 2, "N": 2}
CC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5805
Ir(3)
donors: {"N": 2, "P": 2}
[Cl-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#5804
Ir(3)
donors: {"N": 5}
COc1ccc2cc([C@H](C)C(=O)NCc3ccnc(-c4cc(C)ccn4)c3)ccc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5803
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.Cc1nnc(-c2[c-]cccc2)nn1.[Cl-]
1 meas.
MOL
3D
#5802
Ir(3)
donors: {"N": 5}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-c2nnc(-c3ccccn3)nn2)cc1
1 meas.
MOL
3D
#5801
Ir(3)
donors: {"N": 6}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-c2nnc(-c3ccccn3)nn2)nc1
1 meas.
MOL
3D
#5800
Ir(3)
donors: {"N": 5}
Cc1c(C)c(C)[c-](C)c1C.Cc1nnc(-c2ccccn2)nn1.[Cl-]
1 meas.
MOL
3D
#5799
Ir(3)
donors: {"N": 6}
[c-]1c(-c2nccc3ccccc23)sc2ccccc12.[c-]1c(-c2nccc3ccccc23)sc2ccccc12.c1cnc2c(c1)c1nc(-c3ccncc3)oc1c1cccnc12
1 meas.
MOL
3D
#5798
Ir(3)
donors: {"N": 6}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1c(-c2nccc3ccccc23)sc2ccccc12.[c-]1c(-c2nccc3ccccc23)sc2ccccc12
1 meas.
MOL
3D
#5797
Ir(3)
donors: {"N": 4, "O": 2}
Cc1ccnc(-c2cc(COC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5796
Ir(3)
donors: {"O": 1, "N": 2}
CC(=O)/C=C(/C)[O-].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12
3 meas.
MOL
3D
#5795
Ir(3)
donors: {"O": 1, "N": 4}
CC(=O)/C=C(/C)[O-].Cc1cnc2c3[c-]cccc3c3ccccc3c2n1.Cc1cnc2c3[c-]cccc3c3ccccc3c2n1
3 meas.
MOL
3D
#5794
Ir(3)
donors: {"N": 5}
Cc1cc(-c2[c-]c3ccccc3s2)nc2ccccc12.Cc1cc(-c2[c-]c3ccccc3s2)nc2ccccc12.Cc1ccnc(-c2cc(CCCCN3CCOCC3)ccn2)c1
1 meas.
MOL
3D
#5793
Ir(3)
donors: {"N": 4, "O": 1}
Cc1cc(-c2[c-]c3ccccc3s2)nc2ccccc12.Cc1cc(-c2[c-]c3ccccc3s2)nc2ccccc12.O=C([O-])c1ncccc1OCCCN1CCOCC1
1 meas.
MOL
3D
#5792
Ir(3)
donors: {"N": 5}
COc1ccc(C(=O)Nc2cc3cccnc3c3ncccc23)cc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
3 meas.
MOL
3D
#5791
Ir(3)
donors: {"N": 5}
COc1ccc(C(=O)Nc2cc3cccnc3c3ncccc23)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5790
Ir(3)
donors: {"N": 4}
Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc23)cc1.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12
5 meas.
MOL
3D
#5789
Ir(3)
donors: {"N": 4}
Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc23)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
5 meas.
MOL
3D
#5788
Ir(3)
donors: {"N": 4}
OCc1ccnc(-c2cc(CO)ccn2)c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
5 meas.
MOL
3D
#5787
Ir(3)
donors: {"N": 4}
O=C(OCc1ccnc(-c2cc(COC(=O)c3sc4ccccc4c3Cl)ccn2)c1)c1sc2ccccc2c1Cl.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
5 meas.
MOL
3D
#5786
Ir(3)
donors: {"N": 6}
O=C(OCc1ccnc(-c2cc(COC(=O)c3cc4cc(Cl)ccc4[nH]3)ccn2)c1)c1cc2cc(Cl)ccc2[nH]1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
5 meas.
MOL
3D
#5785
Ir(3)
donors: {"N": 4}
O=C(OCc1ccnc(-c2cc(COC(=O)c3sc4ccccc4c3Cl)ccn2)c1)c1sc2ccccc2c1Cl.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
5 meas.
MOL
3D
#5784
Ir(3)
donors: {"N": 6}
O=C(OCc1ccnc(-c2cc(COC(=O)c3cc4cc(Cl)ccc4[nH]3)ccn2)c1)c1cc2cc(Cl)ccc2[nH]1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3...
5 meas.
MOL
3D
#5783
Ir(3)
donors: {"N": 4}
O=C(OCc1ccnc(-c2cc(COC(=O)c3sc4ccccc4c3Cl)ccn2)c1)c1sc2ccccc2c1Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5782
Ir(3)
donors: {"N": 6}
O=C(OCc1ccnc(-c2cc(COC(=O)c3cc4cc(Cl)ccc4[nH]3)ccn2)c1)c1cc2cc(Cl)ccc2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5781
Ir(3)
donors: {"N": 8}
[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1
1 meas.
MOL
3D
#5780
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ncc(-c2ccccc2)o1.[c-]1ccccc1-c1ncc(-c2ccccc2)o1.c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1
1 meas.
MOL
3D
#5779
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1.c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1
1 meas.
MOL
3D
#5778
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1
1 meas.
MOL
3D
#5777
Ir(3)
donors: {"N": 4}
CC(C)Cc1ccc(C(C)C(=O)OCc2ccnc(-c3cc(COC(=O)C(C)c4ccc(CC(C)C)cc4)ccn3)c2)cc1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
6 meas.
MOL
3D
#5776
Ir(3)
donors: {"N": 4}
CC(C)Cc1ccc(C(C)C(=O)OCc2ccnc(-c3cc(COC(=O)C(C)c4ccc(CC(C)C)cc4)ccn3)c2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5775
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Clc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
3 meas.
MOL
3D
#5774
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Clc1ccnc2c1ccc1c(Cl)ccnc12.[Cl-]
3 meas.
MOL
3D
#5773
Ir(3)
donors: {"N": 5}
COC(=O)/C=C/c1ccc(-c2nccc3c4ccccc4n(C)c23)nc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5772
Ir(3)
donors: {"N": 5}
Cn1c2ccccc2c2ccnc(-c3ccc(/C=C/C(=O)O)cn3)c21.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5771
Ir(3)
donors: {"N": 5}
Fc1c(F)c(F)c(Cn2c(-c3ccc4ccccc4n3)nc3ccccc32)c(F)c1F.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5770
Ir(3)
donors: {"N": 5}
Cc1c(C)c(C)c(Cn2c(-c3ccc4ccccc4n3)nc3ccccc32)c(C)c1C.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5769
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(Cn2c(-c3ccc4ccccc4n3)nc3ccccc32)cc1
3 meas.
MOL
3D
#5768
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(/N=C/c2[c-]cccc2)cc1.[Cl-]
3 meas.
MOL
3D
#5767
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1c[c-]c(/C=N/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.[Cl-]
3 meas.
MOL
3D
#5766
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1c[c-]c(/C=N/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.[Cl-]
3 meas.
MOL
3D
#5765
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1ccc(/N=C/c2[c-]cc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.[Cl-]
3 meas.
MOL
3D
#5764
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(/N=C/c2[c-]cc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.[Cl-]
3 meas.
MOL
3D
#5763
Ir(3)
donors: {"N": 4}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1
4 meas.
MOL
3D
#5762
Ir(3)
donors: {"N": 5}
CC[n+]1ccc(-c2ccc(N(c3ccc(-c4cc[n+](CC)cc4)cc3)c3ccc(-c4ccc(-c5ccccn5)nc4)cc3)cc2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-...
3 meas.
MOL
3D
#5761
Ir(3)
donors: {"N": 5}
CC[n+]1ccc(-c2ccc(N(c3ccc(-c4cc[n+](CC)cc4)cc3)c3ccc(-c4ccc(-c5ccccn5)nc4)cc3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c...
3 meas.
MOL
3D
#5760
Ir(3)
donors: {"N": 5}
Cc1ccnc(-c2cc(CNC(=O)c3ccc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(OCCCC[P+](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c5ccccc5)cc4)cc3)ccn2)...
5 meas.
MOL
3D
#5759
Ir(3)
donors: {"N": 5}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-c2cn(CCCCOc3ccccc3-c3nc4ccccc4s3)nn2)nc1
4 meas.
MOL
3D
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26/142 (7058 total)