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complexes
Ir C^N families
cell death map
D-MPNN
Coordination Complexes
9414 complexes in database
9414
Total
4834
Ru
2220
Au
1431
Ir
339
Rh
337
Os
253
Re
Metal
All
Au
Ir
Os
Re
Rh
Ru
Ox. State
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#4914
Ir(3)
donors: {"N": 4}
OCc1ccnc(-c2cc(CO)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
24 meas.
MOL
SDF
PDB
XYZ
3D
#4913
Ir(3)
donors: {"N": 7}
Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
5 meas.
MOL
3D
#4912
Ir(3)
donors: {"N": 7}
Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
5 meas.
MOL
3D
#4911
Ir(3)
donors: {"N": 7}
Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#4910
Ir(3)
donors: {"N": 8}
Brc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2nsnc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#4909
Ir(3)
donors: {"N": 8}
Brc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2nsnc12.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
6 meas.
MOL
3D
#4908
Ir(3)
donors: {"N": 8}
Brc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2nsnc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#4907
Ir(3)
donors: {"N": 7}
Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#4906
Ir(3)
donors: {"N": 7}
Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#4905
Ir(3)
donors: {"N": 7}
Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#4904
Ir(3)
donors: {"N": 6}
[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.c1cc2ccc3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c4ccc(c1)c2c34
8 meas.
MOL
3D
#4903
Ir(3)
donors: {"N": 4}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
8 meas.
MOL
3D
#4902
Ir(3)
donors: {"N": 6}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)ccn4)c3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[...
3 meas.
MOL
3D
#4901
Ir(3)
donors: {"N": 5}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#4900
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccccc2)c2ccc(-c3ccnc(-c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccn4)c3)cc...
3 meas.
MOL
3D
#4899
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccccc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1
3 meas.
MOL
3D
#4898
Ir(3)
donors: {"N": 2, "P": 2}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(c2ccccc2)c2cccc3cccc(P(c4ccccc4)c4ccccc4)c23)cc1
1 meas.
MOL
3D
#4897
Ir(3)
donors: {"N": 2, "P": 2}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4896
Ir(3)
donors: {"N": 2, "P": 2}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
7 meas.
MOL
3D
#4895
Ir(3)
donors: {"N": 2, "P": 2}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#4894
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1ccc(O)cn1.[Cl-]
1 meas.
MOL
3D
#4893
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1ncccc1O.[Cl-]
1 meas.
MOL
3D
#4892
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1ccc(C(F)(F)F)cn1.[Cl-]
1 meas.
MOL
3D
#4891
Ir(3)
donors: {"N": 1, "O": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Cc1cccnc1C(=O)[O-].[Cl-]
1 meas.
MOL
3D
#4890
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C(O)c1ccc(C(=O)[O-])nc1.[Cl-]
1 meas.
MOL
3D
#4889
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1cc(Cl)ccn1.[Cl-]
1 meas.
MOL
3D
#4888
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1ccc(Br)cn1.[Cl-]
1 meas.
MOL
3D
#4887
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1ccccn1.[Cl-]
2 meas.
MOL
3D
#4886
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
6 meas.
MOL
3D
#4885
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
6 meas.
MOL
3D
#4884
Ir(3)
donors: {"N": 6}
FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
7 meas.
MOL
3D
#4883
Ir(3)
donors: {"N": 6}
FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
7 meas.
MOL
3D
#4882
Ir(3)
donors: {"N": 6}
FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#4881
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCCCC1
1 meas.
MOL
3D
#4880
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccccc1
1 meas.
MOL
3D
#4879
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1
1 meas.
MOL
3D
#4878
Ir(3)
donors: {"N": 5}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1
1 meas.
MOL
3D
#4877
Ir(3)
donors: {"N": 6}
O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCCCC1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#4876
Ir(3)
donors: {"N": 6}
O=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#4875
Ir(3)
donors: {"N": 6}
O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#4874
Ir(3)
donors: {"N": 5}
O=C(Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#4873
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1c[nH]c(-c2ncc[nH]2)n1
10 meas.
MOL
3D
#4872
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1c[nH]cn1.c1c[nH]cn1
9 meas.
MOL
3D
#4871
Ir(3)
donors: {"O": 1, "N": 6}
O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
11 meas.
MOL
3D
#4870
Ir(3)
donors: {"O": 1, "N": 6}
O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
7 meas.
MOL
3D
#4869
Ir(3)
donors: {"N": 6}
Clc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#4868
Ir(3)
donors: {"N": 6}
Clc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#4867
Ir(3)
donors: {"N": 3, "S": 1}
CCN(CC)C(=S)[S-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#4866
Ir(3)
donors: {"S": 1, "N": 3}
S=C([S-])N1CCOCC1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#4865
Ir(3)
donors: {"S": 1, "N": 2}
CCOC(=S)[S-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
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