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
#7514
Au(1)
donors: {"N": 4}
CC(C)n1[c-][n+](C(C)C)cc1.Cc1cc2nc[n-]c2cc1C
4 meas.
3D
#7513
Au(1)
donors: {"N": 3, "O": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.COc1ccc(-c2cccc3c4ccccc4[c-]c(-c4ccccc4)[n+]23)cc1
5 meas.
3D
#7512
Au(3)
donors: {"Br": 4, "N": 4}
Brc1ccc(-c2c3nc(c(-c4ccc(Br)cc4)c4ccc([n-]4)c(-c4ccc(Br)cc4)c4nc(c(-c5ccc(Br)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1
12 meas.
3D
#7511
Au(1)
donors: {"O": 3, "N": 2, "S": 1, "P": 1}
COC(=O)[C@@H]1CCCN1C(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#7510
Au(3)
donors: {"N": 8}
Cc1c([NH-])/c(=N/CC/N=c2/c(N)c(C)n(C)n2-c2ccccc2)n(-c2ccccc2)n1C
2 meas.
3D
#7509
Au(3)
donors: {"S": 1, "P": 1, "Cl": 2}
S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
6 meas.
3D
#7508
Au(1)
donors: {"N": 8, "S": 2}
CNC(=S)N(C)CCNc1c2ccccc2[nH+]c2ccccc12.CNC(=S)N(C)CCNc1c2ccccc2[nH+]c2ccccc12
2 meas.
3D
#7507
Au(1)
donors: {"Br": 1, "S": 1, "N": 2, "Cl": 1}
Brc1ccc(SCCn2[c-][n+](Cc3ccccc3)cc2)cc1.[Cl-]
1 meas.
3D
#7506
Au(1)
donors: {"N": 4, "S": 1, "O": 2, "P": 1}
N#C[S-].O=C(O)Cc1ccc(C[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#7505
Au(3)
donors: {"N": 3}
[c-]1ccccc1Cc1ccccn1.c1ccc(C[N-]C2C3CCC(C3)C2NCc2ccccc2)cc1
4 meas.
3D
#7504
Au(1)
donors: {"N": 2, "P": 1}
CN(C)c1ccncc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7503
Au(1)
donors: {"Br": 1, "N": 2, "S": 1}
[Br-].[c-]1n(CCSC2CCCCC2)cc[n+]1Cc1ccccc1
1 meas.
3D
#7502
Au(1)
donors: {"N": 2, "Cl": 1}
CCCCn1[c-][n+](CCCC)cc1.[Cl-]
1 meas.
3D
#7501
Au(3)
donors: {"Cl": 1, "O": 1, "N": 1, "P": 2}
[Cl-].[c-]1ccccc1Oc1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7500
Au(1)
donors: {"P": 1, "O": 4, "S": 1, "N": 1}
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.COC(=O)C(CCSC)NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
1 meas.
3D
#7499
Au(1)
donors: {"O": 3, "N": 4, "P": 1, "S": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[S-]c1nc2ccccc2o1
2 meas.
3D
#7498
Au(1)
donors: {"N": 2, "Br": 2, "O": 1, "Cl": 1}
CCn1[c-][n+](CC)c(-c2cc(Br)cc(Br)c2)c1-c1ccc(OC)cc1.[Cl-]
2 meas.
3D
#7497
Au(1)
donors: {"N": 6, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.O=[N+]([O-])c1cn[n-]c1
7 meas.
3D
#7496
Au(1)
donors: {"N": 5, "O": 1, "Br": 1}
C=C[C@H]1C[N@@]2CC[C@H]1CC2C[n+]1[c-]n(-c2ccc(-c3nc(C(C)(C)C)no3)cc2)cc1.[Br-]
12 meas.
3D
#7495
Au(1)
donors: {"Br": 1, "N": 3, "P": 1}
[Br-].c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#7494
Au(1)
donors: {"O": 20, "N": 12}
CC(=O)OC[C@H]1O[C@@H](OCc2cn(CCCCCCn3n[n+](-c4c(C)cc(C)cc4C)[c-]c3-c3c(C)cc(C)cc3C)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@...
2 meas.
3D
#7493
Au(3)
donors: {"O": 1, "N": 1}
[CH2-]Cc1ccc(OC)cc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
6 meas.
3D
#7492
Au(3)
donors: {"O": 2, "N": 3, "P": 2, "Cl": 1}
O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-].[c-]1ccccc1-c1ccccn1
5 meas.
3D
#7491
Au(1)
donors: {"S": 1, "N": 2, "P": 1}
[S-]c1ccccn1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
6 meas.
3D
#7490
Au(3)
donors: {"O": 2, "N": 2, "Cl": 2}
Oc1cccnc1-c1ncccc1O.[Cl-].[Cl-]
9 meas.
3D
#7489
Au(3)
donors: {"Cl": 6, "O": 1, "N": 2}
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#7488
Au(1)
donors: {"O": 5, "S": 2, "N": 2, "P": 1}
COC(=O)[C@H](CCSC)NC(=O)[C@H](C[S-])NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7487
Au(3)
donors: {"O": 24, "N": 4}
C[C@]1(Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@]6(C)O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)cc5)c5ccc([n-]5)c(-c5ccc(O[C@@]6(C)O[C@@H]...
5 meas.
3D
#7486
Au(1)
donors: {"S": 1, "N": 4, "Cl": 1}
S=C(NN=C(c1ccccc1)c1cccc[nH+]1)Nc1ccccc1.[Cl-]
3 meas.
3D
#7485
Au(1)
donors: {"S": 2, "N": 4, "Br": 4}
S=C1N(c2ccc(Br)cc2)CCN1c1ccc(Br)cc1.S=C1N(c2ccc(Br)cc2)CCN1c1ccc(Br)cc1
4 meas.
3D
#7484
Au(1)
donors: {"N": 2, "O": 1, "S": 1}
CC(C)n1[c-][n+](C(C)C)cc1.O=C([S-])c1ccccc1
1 meas.
3D
#7483
Au(3)
donors: {"N": 4}
C(=NCCN=Cc1ccc[n-]1)c1ccc[n-]1
4 meas.
3D
#7482
Au(1)
donors: {"N": 3, "P": 1, "O": 3, "Cl": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CCOc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O
3 meas.
3D
#7481
Au(1)
donors: {"O": 1, "S": 1, "N": 2}
O=C([S-])c1ccccc1.[c-]1n(C2CCCCC2)c2ccccc2[n+]1C1CCCCC1
1 meas.
3D
#7480
Au(1)
donors: {"N": 6, "P": 2, "Cl": 1}
CCCCCCCC[N@+]12C[N@@]3C[N@@](C[P@@](C3)C1)C2.CCCCCCCC[N@+]12C[N@@]3C[N@@](C[P@@](C3)C1)C2.[Cl-]
1 meas.
3D
#7479
Au(3)
donors: {"N": 4, "Cl": 2}
Nc1ccnc(-c2cc(N)ccn2)c1.[Cl-].[Cl-]
2 meas.
3D
#7478
Au(3)
donors: {"Cl": 1, "N": 1, "P": 2}
[Cl-].[c-]1ccccc1Cc1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7477
Au(1)
donors: {"O": 3, "P": 1}
[C-]#CCOc1c(-c2ccccc2)oc2ccccc2c1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7476
Au(1)
donors: {"N": 3, "S": 1}
[C-]#[N+]Cc1ccccc1.[S-]c1ncccn1
3 meas.
3D
#7475
Au(1)
donors: {"O": 1, "N": 4, "Cl": 1, "P": 1}
CCOc1nc(Cl)nc2[n-]cnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
9 meas.
3D
#7474
Au(3)
donors: {"O": 1, "N": 1, "Cl": 1, "P": 2}
O=Cc1c[c-]c(-c2ccccn2)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7473
Au(3)
donors: {"Cl": 2, "N": 3}
Clc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
3 meas.
3D
#7472
Au(1)
donors: {"N": 2, "Br": 1}
CCN1[C-]=[N+](CC)C(c2ccccc2)C1c1ccccc1.[Br-]
2 meas.
3D
#7471
Au(1)
donors: {"N": 5, "F": 3, "O": 2, "Cl": 1}
CC[n+]1[c-]n(Cc2c3ccccc3cc3ccccc23)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
3 meas.
3D
#7470
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccc(N4[C-]=[N+](C(C)C)CC4)ccc-3c(-c3ccc(OC)cc3)c2-c2ccc(F)cc2)cc1.[Cl-]
4 meas.
3D
#7469
Ir(3)
donors: {"N": 8}
C[N+]1(C)CCN(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)CC1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
2 meas.
3D
#7468
Au(1)
donors: {"O": 3, "N": 2, "S": 1, "P": 1}
COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#7467
Au(3)
donors: {"N": 4}
CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC
7 meas.
3D
#7466
Au(1)
donors: {"S": 2, "N": 3}
S=C([S-])N1CCCC1.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
3 meas.
3D
#7465
Au(1)
donors: {"N": 3, "O": 2, "Br": 1}
CCCn1[c-][n+](CC)c(-c2cccc(OC)c2)c1-c1ccc(OC)cn1.[Br-]
1 meas.
3D
«
‹
36
37
38
39
40
41
42
›
»
39/189 (9414 total)