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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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#5008
Ir(3)
donors: {"N": 1, "O": 1}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1cc(=O)oc2cc(/N=C/c3ccccc3[O-])ccc12.[Cl-]
2 meas.
MOL
3D
#5007
Ir(3)
donors: {"N": 1, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1cc(=O)oc2cc(/N=C/c3ccccc3[O-])ccc12.[Cl-]
2 meas.
MOL
3D
#5006
Ir(3)
donors: {"N": 4}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
3 meas.
MOL
3D
#5005
Ir(3)
donors: {"N": 4}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#5004
Ir(3)
donors: {"N": 5}
NCCc1c[nH]cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5003
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#5002
Ir(3)
donors: {"O": 1, "N": 3}
Cc1c(C)c(C)[c-](C)c1C.O=C([O-])CCCc1ccccc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#5001
Ir(3)
donors: {"O": 1, "N": 3}
CCCC(CCC)C(=O)[O-].Cc1c(C)c(C)[c-](C)c1C.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#5000
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[I-].c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#4999
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[Br-].c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#4998
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#4997
Ir(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(Cl)c2ccc3c(Cl)cc(C)nc3c2n1
2 meas.
MOL
3D
#4996
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.O=C([O-])c1ccccn1.[Cl-]
1 meas.
MOL
3D
#4995
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C([O-])c1ccccn1.[Cl-]
1 meas.
MOL
3D
#4994
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.NCCN.[Cl-]
1 meas.
MOL
3D
#4993
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.NCCN.[Cl-]
1 meas.
MOL
3D
#4992
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].c1ccc(-c2ccccn2)nc1
11 meas.
MOL
3D
#4991
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4990
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4989
Ir(3)
donors: {"N": 2, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4988
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccccc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4987
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.O=C(NC(=S)Nc1ccccc1)c1ccccc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4986
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2nc(Cn3c(-c4nccs4)nc4ccccc43)ccc2c1
1 meas.
MOL
3D
#4985
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3n2Cc2ccc3ccccc3n2)nc1
1 meas.
MOL
3D
#4984
Ir(3)
donors: {"N": 7}
CCCCNC(=N)Nc1nc2ccccc2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#4983
Ir(3)
donors: {"N": 6}
CCCCNC(=S)Nc1nc2ccccc2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#4982
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-c2nccs2)nc1
2 meas.
MOL
3D
#4981
Ir(3)
donors: {"N": 6}
CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#4980
Ir(3)
donors: {"N": 6}
CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.C[N+](C)(C)Cc1ccc(-c2ccc(C[N+]...
10 meas.
MOL
3D
#4979
Ir(3)
donors: {"N": 6}
[c-]1c(-c2nccc3ccccc23)sc2ccccc12.[c-]1c(-c2nccc3ccccc23)sc2ccccc12.c1ccc(-n2c(-c3ccc(OCCCC[P+](c4ccccc4)(c4ccccc4)c4ccc...
1 meas.
MOL
3D
#4978
Ir(3)
donors: {"N": 6}
CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1.[c-]1c(-c2nccc3ccccc23)sc2ccccc12.[c-]1c(-c2nccc3ccccc23)sc2ccccc12
1 meas.
MOL
3D
#4977
Ir(3)
donors: {"N": 4}
C[n+]1ccc[c-]c1-c1ccccn1.C[n+]1ccc[c-]c1-c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#4976
Ir(3)
donors: {"N": 4}
C[n+]1ccc[c-]c1-c1ccccn1.C[n+]1ccc[c-]c1-c1ccccn1.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#4975
Ir(3)
donors: {"N": 4}
C[n+]1ccc[c-]c1-c1ccccn1.C[n+]1ccc[c-]c1-c1ccccn1.Cc1ccnc(-c2cc(C)ccn2)c1
4 meas.
MOL
3D
#4974
Ir(3)
donors: {"N": 4}
C[n+]1ccc[c-]c1-c1ccccn1.C[n+]1ccc[c-]c1-c1ccccn1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4973
Ir(3)
donors: {"N": 6}
Cn1ccn(Cn2ccn(C)c2=S)c1=S.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#4972
Ir(3)
donors: {"N": 6}
Cn1ccn(Cn2ccn(C)c2=S)c1=S.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1
2 meas.
MOL
3D
#4971
Ir(3)
donors: {"N": 5}
O=C(CCCc1ccccc1)Nc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
15 meas.
MOL
3D
#4970
Ir(3)
donors: {"N": 6}
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Nc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#4969
Ir(3)
donors: {"N": 6}
FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.O=c1[nH]c2cc3nc4c5cccnc5c5...
5 meas.
MOL
3D
#4968
Ir(3)
donors: {"N": 8}
FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.c1ccc2cc3nc4c5cccnc5c5nccc...
5 meas.
MOL
3D
#4967
Ir(3)
donors: {"N": 8}
FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.c1cnc2c(c1)c1nccnc1c1cccnc...
5 meas.
MOL
3D
#4966
Ir(3)
donors: {"N": 6}
FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4c...
5 meas.
MOL
3D
#4965
Ir(3)
donors: {"N": 5}
Oc1ccc(Nc2ccnc(-c3ccccn3)c2)cc1O.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
8 meas.
MOL
3D
#4964
Ir(3)
donors: {"N": 5}
Nc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
21 meas.
MOL
3D
#4963
Ir(3)
donors: {"N": 5}
FC(F)(F)c1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(C(F)(F)F)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#4962
Ir(3)
donors: {"N": 8}
CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.CN(C)c1ccc(-c2cc(-c3ccccn3)nc(...
6 meas.
MOL
3D
#4961
Ir(3)
donors: {"N": 7}
CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.FC(F)(F)c1cc(-c2cc(-c3ccccn3)n...
6 meas.
MOL
3D
#4960
Ir(3)
donors: {"N": 7}
CC(C)(C)c1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(C(C)(C)C)c1.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.CCN(CC)c1ccc2[c...
6 meas.
MOL
3D
#4959
Ir(3)
donors: {"N": 5}
CCNC(=O)c1ccnc(-c2cc(C)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
3 meas.
MOL
3D
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42/142 (7058 total)