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Ir C^N families
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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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#9014
Ir(3)
donors: {"N": 6, "O": 5, "F": 4}
Cc1ccnc(-c2cc(COC(=O)CCC(=O)n3cc(C4CC(=O)NC4=O)c4ccccc43)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
7 meas.
3D
#9013
Au(1)
donors: {"N": 2, "I": 1, "O": 1, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(I)cc2)c1-c1ccc(OC)cc1.[Cl-]
2 meas.
3D
#9012
Au(1)
donors: {"N": 5, "O": 1, "Br": 1}
CC(C)(C)c1noc(-c2ccc(-n3[c-][n+](CCc4c[nH]c5ccccc45)cc3)cc2)n1.[Br-]
12 meas.
3D
#9011
Au(3)
donors: {"N": 3}
CC(C)(c1[c-]cccc1)c1cccc(-c2ccccn2)n1.Cc1ccc([NH-])cc1
5 meas.
3D
#9010
Au(3)
donors: {"O": 6, "N": 2, "S": 2, "Br": 2}
O=C(N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CCN(C(=S)[S-])CC1.[Br-].[Br-]
4 meas.
3D
#9009
Au(1)
donors: {"N": 4, "O": 1, "Br": 1}
CC(C)(C)c1noc(-c2ccc(-n3[c-][n+](Cc4ccccc4)cc3)cc2)n1.[Br-]
12 meas.
3D
#9008
Au(3)
donors: {"S": 4, "N": 4}
[S-]c1nccnc1[S-].[S-]c1nccnc1[S-]
5 meas.
3D
#9007
Ir(3)
donors: {"N": 6, "S": 1, "Cl": 1}
C/C(=N\NC(=S)Nc1ccccc1Cl)c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
3D
#9006
Au(3)
donors: {"N": 4, "Cl": 2}
CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1ccccc1.CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1ccccc1.[Cl-].[Cl-]
6 meas.
3D
#9005
Ir(3)
donors: {"O": 1, "N": 4, "S": 2}
O=C([N-]c1ccccc1)c1ccccn1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1
1 meas.
3D
#9004
Au(3)
donors: {"N": 2, "S": 2}
CCN(CC)C(=S)[S-].Cc1c[c-]c(-c2ccccn2)cc1
1 meas.
3D
#9003
Ir(3)
donors: {"N": 6}
CC(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
8 meas.
3D
#9002
Au(1)
donors: {"N": 2, "S": 1, "O": 1, "P": 1}
CCCCCCCCCCCc1nnc([S-])o1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9001
Au(1)
donors: {"N": 5, "S": 2}
CNC(=S)N(C)CCNc1c2ccccc2[nH+]c2ccccc12.N#C[S-]
2 meas.
3D
#9000
Au(1)
donors: {"N": 2, "S": 2, "O": 3, "P": 1}
Cc1ccnc([S-])n1.O=S(=O)([O-])c1cccc(P(c2ccccc2)c2ccccc2)c1
2 meas.
3D
#8999
Au(1)
donors: {"N": 2, "O": 2, "S": 1, "P": 1}
CN(C)CCN1C(=O)c2cccc3c([S-])ccc(c23)C1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8998
Au(3)
donors: {"O": 1, "N": 2}
[C-]#CC(OC)=[N+]1CCCC1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
1 meas.
3D
#8997
Au(1)
donors: {"S": 2, "N": 2, "P": 1}
[S-]/C(=N\c1ccccc1)N1CCSCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8996
Au(1)
donors: {"N": 2, "Cl": 1}
CCCCCCCCCCCCCCCCCC[n+]1[c-]n(C)cc1.[Cl-]
2 meas.
3D
#8995
Au(3)
donors: {"N": 3}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.Cn1[c-][n+](Cc2ccccn2)c2ccccc21
4 meas.
3D
#8994
Au(3)
donors: {"O": 1, "N": 2, "Cl": 2}
O=C([N-]Cc1ccccc1)c1ccccn1.[Cl-].[Cl-]
5 meas.
3D
#8993
Au(3)
donors: {"O": 3, "P": 1, "Cl": 3}
COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.[Cl-].[Cl-].[Cl-]
6 meas.
3D
#8992
Au(1)
donors: {"O": 3, "N": 2}
COc1cc(O)c(C(C)=O)cc1C[n+]1[c-]n(C)cc1.[C-]#Cc1ccccc1
2 meas.
3D
#8991
Ir(3)
donors: {"S": 2, "N": 6}
[S-]c1nc2ccccc2c2n1nc([S-])[n+]2-c1ccccc1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
3 meas.
3D
#8990
Au(1)
donors: {"N": 3, "O": 4, "S": 2, "F": 6}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
4 meas.
3D
#8989
Au(3)
donors: {"N": 1, "O": 2, "S": 2, "Cl": 2}
CN(CC(=O)OC(C)(C)C)C(=S)[S-].[Cl-].[Cl-]
3 meas.
3D
#8988
Au(1)
donors: {"N": 6, "O": 4}
CCC[n+]1[c-]n(CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)nc1.CCC[n+]1[c-]n(CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)nc1
3 meas.
3D
#8987
Ir(3)
donors: {"O": 1, "N": 7}
O=C1Nc2ccccc2/C1=N\N=C\c1ncc[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
3D
#8986
Au(1)
donors: {"N": 2, "F": 2, "S": 2}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccc(F)cc3)cc2)c1-c1ccc(-c2ccc(F)cc2)cc1.[S-]c1cccs1
3 meas.
3D
#8985
Au(1)
donors: {"N": 2, "O": 4, "F": 2, "Br": 1}
CC[n+]1[c-]n(CCCOC(=O)/C=C/c2ccc(O)c(OC)c2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Br-]
2 meas.
3D
#8984
Au(3)
donors: {"O": 1, "N": 3, "S": 1, "Cl": 1}
Cc1ccc([O-])c(/C=N/N=C(\[S-])N(C)C)c1.[Cl-]
6 meas.
3D
#8983
Au(3)
donors: {"F": 15, "O": 1, "N": 1, "P": 1, "S": 1}
Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.O=C(NCCP(c1ccccc1)c1ccccc1)c1cccs1
4 meas.
3D
#8982
Au(1)
donors: {"P": 1, "Cl": 1}
C=CCP(c1ccccc1)c1ccccc1.[Cl-]
4 meas.
3D
#8981
Au(3)
donors: {"N": 2, "S": 8}
CCC(C)n1c([S-])c([S-])sc1=S.CCC(C)n1c([S-])c([S-])sc1=S
3 meas.
3D
#8980
Au(1)
donors: {"P": 1, "N": 2}
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.c1cnc2c(c1)ccc1cccnc12
2 meas.
3D
#8979
Au(1)
donors: {"O": 2, "N": 4, "P": 1, "S": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[S-]c1ccccn1
2 meas.
3D
#8978
Au(1)
donors: {"O": 5, "N": 2, "S": 1, "P": 1}
CC1(C)CC(C(O)C2COC(C)(C)O2)C(c2nnc([S-])o2)O1.CCP(CC)CC
3 meas.
3D
#8977
Au(1)
donors: {"Cl": 1, "N": 4, "O": 1, "P": 1}
Clc1nc(OCc2ccccc2)c2nc[n-]c2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8976
Au(1)
donors: {"N": 2, "P": 1}
[c-]1c2c(n3[n+]1CCCC3)CCCC2.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8975
Au(1)
donors: {"P": 2, "N": 4}
CP(C)c1nc2ccccc2nc1P(C(C)(C)C)C(C)(C)C.c1ccc(-c2ccccn2)nc1
4 meas.
3D
#8974
Au(3)
donors: {"O": 5, "N": 2, "Cl": 2}
CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)OC1O[C@@H]2CNCCN.[Cl-].[Cl-]
4 meas.
3D
#8973
Au(3)
donors: {"N": 1, "P": 1}
[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8972
Ir(3)
donors: {"N": 6, "O": 3}
CCN(CC)c1ccc2c(/C(C(C)=O)=C(\C)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccccc1-c1nc2ccc...
1 meas.
3D
#8971
Au(1)
donors: {"P": 1, "N": 3}
[C-]#Cc1ccccc1.c1ccc(P(c2ccccc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
3 meas.
3D
#8970
Au(3)
donors: {"S": 2, "O": 4, "N": 3}
Cc1ccc(S(=O)(=O)[N-]CC[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[c-]1ccccc1Cc1ccccn1
1 meas.
3D
#8969
Au(1)
donors: {"N": 4, "F": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.Fc1cnc2[n-]ccc2c1
5 meas.
3D
#8968
Au(1)
donors: {"O": 3, "N": 2, "S": 1, "P": 1}
COC(=O)[C@@H](NC(=O)c1cccnc1[S-])C(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#8967
Au(1)
donors: {"N": 3, "F": 2}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#Cc1cccnc1
1 meas.
3D
#8966
Au(1)
donors: {"O": 2, "N": 3, "P": 1, "Cl": 1}
O=C(c1ccccc1)N1CN2CN(C(=O)c3ccccc3)CP(C2)C1.[Cl-]
5 meas.
3D
#8965
Au(1)
donors: {"N": 5, "F": 3, "O": 2, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
3 meas.
3D
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9/189 (9414 total)