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D-MPNN
Coordination Complexes
7058 complexes in database
7058
Total
4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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#758
Ru(2)
donors: {"N": 7}
[Cl-].c1cc(N2CCCC2)c2ccc3c(N4CCCC4)ccnc3c2n1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
11 meas.
MOL
3D
#757
Ru(2)
donors: {"N": 7}
CN(C)c1ccnc2c1ccc1c(N(C)C)ccnc12.[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
11 meas.
MOL
3D
#756
Ru(2)
donors: {"N": 5}
COc1ccnc2c1ccc1c(OC)ccnc12.[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
11 meas.
MOL
3D
#755
Ru(2)
donors: {"N": 5}
[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
5 meas.
MOL
3D
#754
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Oc1ccc2nc(-c3ccccn3)cc(-c3ccccc3)c2c1.[Cl-]
4 meas.
MOL
3D
#753
Ru(2)
donors: {"N": 2}
Brc1ccc2nc(-c3ccccn3)cc(-c3ccccc3)c2c1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#752
Ru(2)
donors: {"N": 3}
CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1OC(C)=O.Cc1ccc(C(C)C)cc1.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#751
Ru(2)
donors: {"N": 3}
CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1OC(C)=O.Cc1ccc(C(C)C)cc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#750
Ru(2)
donors: {"N": 1, "O": 2}
CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1OC(C)=O.Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#749
Ru(2)
donors: {"N": 2}
CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1OC(C)=O.COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(=O)Cc1ccccc1.[Cl-]....
3 meas.
MOL
3D
#748
Ru(2)
donors: {"N": 1}
CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1OC(C)=O.[Cl-].[Cl-].c1ccccc1
3 meas.
MOL
3D
#747
Ru(2)
donors: {"N": 1}
CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1OC(C)=O.Cc1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#746
Ru(2)
donors: {"N": 1}
CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1OC(C)=O.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].[Cl-]
3 meas.
MOL
3D
#745
Ru(2)
donors: {"N": 1}
CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1OC(C)=O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#744
Ru(2)
donors: {"N": 1}
CC[n+]1[c-]n(C)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#743
Ru(2)
donors: {"N": 6, "O": 1}
Cc1cc(C)nc(N=Cc2ccccc2[O-])c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#742
Ru(2)
donors: {"N": 6, "O": 1}
Cc1cccc(N=Cc2ccccc2[O-])n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#741
Ru(2)
donors: {"O": 1, "N": 6}
[O-]c1ccccc1C=Nc1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#740
Ru(2)
donors: {"N": 7}
Cc1ccnc(-c2cc(C(=O)Nc3ccc4cc5ccccc5cc4c3)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#739
Ru(2)
donors: {"N": 7}
Cc1ccnc(-c2cc(C(=O)Nc3ccc4cc5ccccc5cc4c3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#738
Ru(2)
donors: {"N": 5}
NC(=S)c1ccccc1.[Cl-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
12 meas.
MOL
3D
#737
Ru(2)
donors: {"N": 5}
NC(=S)c1ccccc1.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
11 meas.
MOL
3D
#736
Ru(2)
donors: {"S": 1, "N": 3, "P": 2}
[S-]C1=NCCS1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
26 meas.
MOL
3D
#735
Ru(2)
donors: {"N": 6}
Cc1cc(O)nc(-c2cc(C)cc(O)n2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#734
Ru(2)
donors: {"N": 6}
Oc1cccc(-c2cccc(O)n2)n1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1
5 meas.
MOL
3D
#733
Ru(2)
donors: {"N": 6}
Oc1cccc(-c2cccc(O)n2)n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#732
Ru(2)
donors: {"N": 6}
Oc1cccc(-c2cccc(O)n2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#731
Ru(2)
donors: {"N": 6}
[c-]1ccccc1-c1nccc2c1[nH]c1ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#730
Ru(2)
donors: {"O": 1, "N": 6}
O=[N+]([O-])c1c[c-]c(-c2nccc3c2[nH]c2ccccc23)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#729
Ru(2)
donors: {"N": 3}
C(=N\Nc1nc2ccccc2s1)\c1ccc2ccc3cccc4ccc1c2c34.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#728
Ru(2)
donors: {"N": 3}
C(=N\Nc1nc2ccccc2s1)\c1ccc2c(c1)Cc1ccccc1-2.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#727
Ru(2)
donors: {"N": 3}
C(=N\Nc1nc2ccccc2s1)\c1c2ccccc2cc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#726
Ru(2)
donors: {"N": 2, "P": 1}
CC(=O)c1ccnc(-c2ccccn2)c1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#725
Ru(2)
donors: {"N": 4, "P": 1}
NNC(=O)c1ccnc(-c2ccccn2)c1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#724
Ru(2)
donors: {"O": 1, "N": 2, "P": 1}
CC(=O)[c-]1cccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#723
Ru(2)
donors: {"N": 4, "P": 1}
NNC(=O)[c-]1cccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#722
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(CNC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CN3C(=O)C=CC3=O)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
2 meas.
MOL
3D
#721
Ru(2)
donors: {"N": 7}
Cc1ccnc(-c2cc(CN3C(=O)C=CC3=O)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)...
2 meas.
MOL
3D
#720
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
22 meas.
MOL
3D
#719
Ru(2)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.O=C(O)c1cccnc1-c1ncccc1C(=O)O.[Cl-].[Cl-]
2 meas.
MOL
3D
#718
Ru(2)
donors: {"N": 4, "P": 2}
[N-]=C=S.[N-]=C=S.c1ccc(P(c2ccccc2)c2cccc3cccnc23)cc1.c1ccc(P(c2ccccc2)c2cccc3cccnc23)cc1
2 meas.
MOL
3D
#717
Ru(2)
donors: {"N": 4}
Cc1cc(C)n(-c2ccc(Cl)nn2)n1.Cc1ccc(C)cc1.[Cl-]
1 meas.
MOL
3D
#716
Ru(2)
donors: {"N": 4}
Cc1cc(C)n(-c2ccc(Cl)nn2)n1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#715
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Clc1ccc(-n2cccn2)nn1.[Cl-]
1 meas.
MOL
3D
#714
Ru(3)
donors: {"O": 1}
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C.Cc1ccc(C(C)C)cc1.[C...
2 meas.
MOL
3D
#713
Ru(3)
donors: {"O": 1}
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C.[Cl-].[Cl-].c1ccccc...
2 meas.
MOL
3D
#712
Ru(2)
donors: {"N": 4}
C(=N/N=C/c1ccc2ccccc2n1)\c1ccc2ccccc2n1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#711
Ru(2)
donors: {"P": 2, "N": 2}
C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#710
Ru(2)
donors: {"P": 2, "S": 1, "N": 4}
C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.[S-]c1ncccn1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#709
Ru(2)
donors: {"P": 2, "S": 1, "N": 3}
C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.[S-]c1ccccn1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
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