home
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
All
1
2
3
4
5
Donor atoms
Has 3D struct
Any
Yes
Search (ID / SMILES)
Sort
ID ↑
ID ↓
Measurements ↓
Per page
50
100
500
Apply
Reset
#7114
Au(3)
donors: {"N": 5, "S": 2, "Cl": 1}
CCCN(CCC)/C([S-])=N/[N-]C(NC(=S)N(CC)CC)c1ccccc1.[Cl-]
1 meas.
3D
#7113
Au(1)
donors: {"N": 6, "P": 1}
C1N2CN3CN1CP(C2)C3.[N-]=[N+]=[N-]
3 meas.
3D
#7112
Au(1)
donors: {"N": 2, "O": 7, "P": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[C-]#CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@...
3 meas.
3D
#7111
Au(1)
donors: {"S": 2, "N": 4}
CSc1ccc(-n2[c-][n+](Cc3ccccc3)cc2)cc1.CSc1ccc(-n2[c-][n+](Cc3ccccc3)cc2)cc1
5 meas.
3D
#7110
Au(3)
donors: {"N": 3, "Cl": 1}
NCCNCCN.[Cl-]
14 meas.
3D
#7109
Au(1)
donors: {"O": 3, "S": 2, "N": 2, "P": 1}
COC(=O)[C@H](CSC)NC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#7108
Ir(3)
donors: {"O": 4, "N": 5, "S": 1, "F": 3}
COC(=O)c1ccc2c(c1)nc(-c1nc3ccccc3s1)n2Cc1ccc(C(F)(F)F)cc1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccccc1-c1nc2ccccc2o1
4 meas.
3D
#7107
Au(1)
donors: {"P": 1, "N": 2, "O": 2, "S": 1}
CCP(CC)CC.CN(C)CCN1C(=O)c2cccc3c([S-])ccc(c23)C1=O
4 meas.
3D
#7106
Au(1)
donors: {"N": 5}
CC(C)(C)n1[c-][n+](C(C)(C)C)cc1.Cn1c(=N)n(C)c2ccccc21
1 meas.
3D
#7105
Au(1)
donors: {"N": 4, "O": 2}
C[n+]1[c-]n(CC(O)c2ccccc2)cc1.C[n+]1[c-]n(CC(O)c2ccccc2)cc1
2 meas.
3D
#7104
Au(1)
donors: {"S": 1, "N": 2, "O": 1, "P": 1}
[S-]c1nnc(C23CC4CC(CC(C4)C2)C3)o1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7103
Au(1)
donors: {"N": 3, "Br": 1, "P": 1}
Nc1n[nH]cc1-c1ccc(Br)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#7102
Au(3)
donors: {"N": 2, "S": 8}
CC(C)(C)n1c([S-])c([S-])sc1=S.CC(C)(C)n1c([S-])c([S-])sc1=S
5 meas.
3D
#7101
Au(3)
donors: {"O": 2, "N": 3, "Br": 3}
COC(=O)C(Cc1ccccc1)NCCn1[c-][n+](C(C)(C)C)cc1.[Br-].[Br-].[Br-]
1 meas.
3D
#7100
Au(3)
donors: {"N": 4, "F": 4, "Br": 2}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Br-].[Br-]
3 meas.
3D
#7099
Au(1)
donors: {"N": 6, "F": 2, "O": 2}
CCC[n+]1[c-]n(CC)c(-c2ccc(F)cc2)c1-c1ccc(OC)nc1.CCC[n+]1[c-]n(CC)c(-c2ccc(F)cc2)c1-c1ccc(OC)nc1
3 meas.
3D
#7098
Au(3)
donors: {"N": 8, "S": 4}
N#Cc1nc([S-])c([S-])nc1C#N.N#Cc1nc([S-])c([S-])nc1C#N
5 meas.
3D
#7097
Au(1)
donors: {"N": 2, "O": 4, "I": 1}
CCn1[c-][n+](CC)c(-c2cc(OC)c(OC)c(OC)c2)c1-c1ccc(OC)cc1.[I-]
2 meas.
3D
#7096
Ir(3)
donors: {"Cl": 1, "N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1ccccc1/C=N/c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
3 meas.
3D
#7095
Ir(3)
donors: {"O": 2, "N": 5, "S": 1, "F": 3}
COC(=O)c1ccc2c(c1)nc(-c1nc3ccccc3s1)n2Cc1ccc(C(F)(F)F)cc1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
4 meas.
3D
#7094
Au(3)
donors: {"O": 1, "N": 3, "S": 2, "Br": 1}
O=C(c1[c-]cccc1)c1ccccn1.S=C([S-])N1CCN(c2ccc(Br)cc2)CC1
5 meas.
3D
#7093
Au(1)
donors: {"P": 1}
[Se-]c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7092
Au(3)
donors: {"O": 6, "N": 2, "Cl": 2}
O=C(CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[N-]Cc1ccccn1.[Cl-].[Cl-]
4 meas.
3D
#7091
Au(1)
donors: {"N": 2, "F": 1}
CCn1[c-][n+](CC)c2ccccc21.[C-]#Cc1ccc(F)cc1
8 meas.
3D
#7090
Au(1)
donors: {"N": 3, "P": 1}
c1ccc(-c2nc3ccccc3[nH]2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7089
Au(3)
donors: {"O": 3, "N": 4}
O=C(O)CCCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1
5 meas.
3D
#7088
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
CC(C)COC(=O)[C@H](C)NCCN[C@@H](C)C(=O)OCC(C)C.[Cl-].[Cl-]
4 meas.
3D
#7087
Au(3)
donors: {"N": 2, "O": 3, "S": 2, "Br": 2}
CN(CC(=O)NCC(=O)OC(C)(C)C)C(=S)[S-].[Br-].[Br-]
2 meas.
3D
#7086
Au(1)
donors: {"N": 6, "O": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2c1C(=O)c1ccccc1C2=O.CCN(CC)C(=O)Cn1[c-][n+](CC(=O)N(CC)CC)cc1
2 meas.
3D
#7085
Au(3)
donors: {"O": 2, "N": 1, "S": 2, "Cl": 2}
COC(CN(C)C(=S)[S-])OC.[Cl-].[Cl-]
3 meas.
3D
#7084
Au(1)
donors: {"N": 2, "O": 5, "P": 1}
CCn1[c-][n+](CC)cc1.[C-]#CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCC[P+](c6ccccc6)...
3 meas.
3D
#7083
Au(1)
donors: {"N": 4, "O": 3}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2c1C(=O)c1ccccc1C2=O.Cn1[c-][n+](CCO)cc1
2 meas.
3D
#7082
Au(1)
donors: {"N": 2, "F": 2, "Br": 1}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccc(F)cc3)cc2)c1-c1ccc(-c2ccc(F)cc2)cc1.[Br-]
3 meas.
3D
#7081
Au(3)
donors: {"S": 2, "N": 3}
[S-]c1ccccn1.[S-]c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
3D
#7080
Ir(3)
donors: {"N": 6}
Cc1ccnc(-c2cc(-c3nc4ccccc4[nH]3)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
12 meas.
3D
#7079
Au(3)
donors: {"N": 2, "Cl": 3}
CCC(C)c1ccc2ccc3cccnc3c2n1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#7078
Au(3)
donors: {"O": 4, "N": 4}
CC(=O)[O-].CC(=O)[O-].CCCC[n+]1[c-]n(C)cc1.CCCC[n+]1[c-]n(C)cc1
3 meas.
3D
#7077
Au(1)
donors: {"O": 6, "N": 2}
COc1cc(O)c(C(C)=O)cc1C[n+]1[c-]n(C)cc1.[C-]#Cc1ccc(OCCOCCOC)cc1
2 meas.
3D
#7076
Au(1)
donors: {"N": 2, "S": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[S-]c1ccccc1
4 meas.
3D
#7075
Au(1)
donors: {"O": 2, "N": 2}
O=C([N-]CCO)c1ccccn1
2 meas.
3D
#7074
Au(1)
donors: {"P": 1, "N": 3}
CCP(CC)CC.[N-]=[N+]=[N-]
3 meas.
3D
#7073
Au(3)
donors: {"N": 5, "Cl": 1}
Cn1nc(-c2cccc(-c3nn(C)c4c3[C@H]3CC[C@]4(C)C3(C)C)n2)c2c1[C@]1(C)CC[C@H]2C1(C)C.[Cl-]
5 meas.
3D
#7072
Au(1)
donors: {"F": 8, "P": 2, "Br": 2}
Fc1c(F)c(F)c(P(c2ccccc2)c2ccccc2)c(Br)c1F.Fc1c(F)c(F)c(P(c2ccccc2)c2ccccc2)c(Br)c1F
6 meas.
3D
#7071
Au(3)
donors: {"O": 12, "S": 4, "N": 4}
O=S(=O)([O-])c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)[O-])cc4)c4ccc([n-]4)c(-c4ccc(S(=O)(=O)[O-])cc4)c4nc(c(-c5ccc(S(=O)(=O)[O-]...
5 meas.
3D
#7070
Au(1)
donors: {"N": 4}
CN(C)c1ccncc1.[c-]1c2c(n3[n+]1CCCC3)CCCC2
1 meas.
3D
#7069
Au(1)
donors: {"O": 3, "N": 2, "Cl": 1}
COc1cc(O)c(C(C)=O)cc1C[n+]1[c-]n(C)cc1.[Cl-]
2 meas.
3D
#7068
Au(1)
donors: {"N": 5, "S": 1, "P": 1}
Cc1cc(C)nc([S-])n1.c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#7067
Ir(3)
donors: {"Cl": 1, "N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[c-]1ccccc1/C=N/c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
3 meas.
3D
#7066
Au(1)
donors: {"N": 2, "Br": 1}
CCN1[C-]=[N+](CC)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.[Br-]
2 meas.
3D
#7065
Au(3)
donors: {"N": 4, "S": 1, "Cl": 1}
N=C([S-])N1N=C(c2ccccn2)CC1c1ccccc1.[Cl-]
2 meas.
3D
«
‹
44
45
46
47
48
49
50
›
»
47/189 (9414 total)