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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
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Au
Ir
Os
Re
Rh
Ru
Ox. State
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Donor atoms
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#5714
Ir(3)
donors: {"N": 6}
CS(=O)(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5713
Ir(3)
donors: {"S": 1, "N": 3}
S=C([S-])N1CCOCC1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
3 meas.
MOL
3D
#5712
Ir(3)
donors: {"N": 3, "S": 1}
CCN(CC)C(=S)[S-].[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
3 meas.
MOL
3D
#5711
Ir(3)
donors: {"S": 1, "N": 2}
COC(=S)[S-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5710
Ir(3)
donors: {"N": 4}
Cc1ccnc(-c2cc(CO)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
3 meas.
MOL
3D
#5709
Ir(3)
donors: {"N": 4, "O": 2}
Cc1ccnc(-c2cc(COC(=O)c3ccccc3Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2cc...
3 meas.
MOL
3D
#5708
Ir(3)
donors: {"N": 5}
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(\C)NCc3ccnc(-c4cc(C)ccn4)c3)C(=O)C12C.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5707
Ir(3)
donors: {"N": 4}
Clc1ccnc2c1ccc1c(Cl)ccnc12.O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1
1 meas.
MOL
3D
#5706
Ir(3)
donors: {"N": 4}
C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1
2 meas.
MOL
3D
#5705
Ir(3)
donors: {"N": 6}
Cn1ccnc1-c1nccn1C.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1
2 meas.
MOL
3D
#5704
Ir(3)
donors: {"N": 5}
Cc1c[nH]c(-c2ccccn2)n1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1
2 meas.
MOL
3D
#5703
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(-n2cc(-c3ccccn3)nn2)cc1
2 meas.
MOL
3D
#5702
Ir(3)
donors: {"N": 5}
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(-n2ccnc2-c2ccccn2)cc1
2 meas.
MOL
3D
#5701
Ir(3)
donors: {"N": 5}
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(-c2ccn(-c3ccccn3)n2)cc1
2 meas.
MOL
3D
#5700
Ir(3)
donors: {"N": 5}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc(-c2ccn(-c3ccccn3)n2)cc1
2 meas.
MOL
3D
#5699
Ir(3)
donors: {"N": 5}
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(-n2cccn2)nc1
2 meas.
MOL
3D
#5698
Ir(3)
donors: {"N": 5}
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(-n2ccc(-c3ccccn3)n2)cc1
2 meas.
MOL
3D
#5697
Ir(3)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.[c-]1cc(-c2nc3ccccc3s2)ccc1-c1ccccn1.[c-]1cc(-c2nc3ccccc3s2)ccc1-c1ccccn1
2 meas.
MOL
3D
#5696
Ir(3)
donors: {"P": 1}
COc1ccc(P(CO)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-]
9 meas.
MOL
3D
#5695
Ir(3)
donors: {"P": 1}
Cc1c(C)c(C)[c-](C)c1C.OCP(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
9 meas.
MOL
3D
#5694
Ir(3)
donors: {"N": 6}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(Cn3cc(CNC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)C(C)(C)[C@@H]7CC[C...
2 meas.
MOL
3D
#5693
Ir(3)
donors: {"N": 2}
COC(=O)c1cc(N=Cc2cc3ccccc3cn2)ccc1O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5692
Ir(3)
donors: {"N": 3}
COC(=O)c1cc(N=Cc2ncc[nH]2)ccc1O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5691
Ir(3)
donors: {"N": 6}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-c2cn(Cc3nc4ccccc4nc3-n3cc(-c4ccccn4)nn3)nn2)nc1
3 meas.
MOL
3D
#5690
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(CNC(=O)c3ccccc3Nc3c(Cl)ccc(C)c3Cl)ccn2)c1.[Cl-]
5 meas.
MOL
3D
#5689
Ir(3)
donors: {"N": 4}
CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#5688
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc([P+](CCCCOc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#5687
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2sc(-c3nccc4c3[nH]c3ccccc34)nc2c1
7 meas.
MOL
3D
#5686
Ir(3)
donors: {"N": 5}
Cc1csc(-c2nccc3c2[nH]c2ccccc23)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5685
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)[nH]c1c(-c3nccs3)nccc12
7 meas.
MOL
3D
#5684
Ir(3)
donors: {"N": 3}
CC(C)[C@H](N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
6 meas.
MOL
3D
#5683
Ir(3)
donors: {"N": 3}
CC(C)[C@@H](N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
6 meas.
MOL
3D
#5682
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(CNC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C...
5 meas.
MOL
3D
#5681
Ir(3)
donors: {"P": 2}
C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
2 meas.
MOL
3D
#5680
Ir(3)
donors: {"P": 2}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#5679
Ir(3)
donors: {"P": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#5678
Ir(3)
donors: {"P": 2}
C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5677
Ir(3)
donors: {"P": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#5676
Ir(3)
donors: {"N": 1}
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3c[c-]c(-c4ccccn4)cc3)=CC[C@@H]12.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5675
Ir(3)
donors: {"N": 1}
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccccn3)=CC[C@@H]12.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-]
4 meas.
MOL
3D
#5674
Ir(3)
donors: {"N": 1}
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccccn3)=[C-]C[C@@H]12.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5673
Ir(3)
donors: {"N": 1}
Brc1c[c-]c(-c2ccccn2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5672
Ir(3)
donors: {"N": 2}
C/C(=N\O)c1nccs1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5671
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.O/N=C(\c1ccccc1)c1ccccn1.[Cl-]
2 meas.
MOL
3D
#5670
Ir(3)
donors: {"N": 3, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.N#C/C(=N\[O-])c1ccccn1.[Cl-]
2 meas.
MOL
3D
#5669
Ir(3)
donors: {"N": 2}
COC(=O)C(Cc1cn(C)[c-][n+]1C)NC(=O)OC(C)(C)C.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-]
3 meas.
MOL
3D
#5668
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Cn1[c-][n+](C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#5667
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.O=C(OC[C@H]1O[C@@H](n2cc(-c3ccc4ccccc4n3)nn2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(...
5 meas.
MOL
3D
#5666
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)oc1cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc12
6 meas.
MOL
3D
#5665
Ir(3)
donors: {"N": 3}
C/C(=N\N=c1/[n-]c2ccccc2s1)c1cc2c(ccc3ccccc32)oc1=O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
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75/189 (9414 total)