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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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Ir
Os
Re
Rh
Ru
Ox. State
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Donor atoms
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#5158
Ir(3)
donors: {"N": 6}
COc1ccc(-n2c(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)nc3c4cccnc4c4ncccc4c32)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5157
Ir(3)
donors: {"N": 6}
O=C1c2ccccc2C(=O)c2cc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(F)cc3)ccc21.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5156
Ir(3)
donors: {"N": 6}
CC(C)(C)c1ccc(-n2c(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)nc3c4cccnc4c4ncccc4c32)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5155
Ir(3)
donors: {"N": 6}
Cc1ccc(-n2c(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)nc3c4cccnc4c4ncccc4c32)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5154
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].[O-]c1ccccc1-[n+]1[c-]n(CCc2ccc(F)cc2)c2ccccc21
2 meas.
MOL
3D
#5153
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].[O-]c1ccccc1-[n+]1[c-]n(CCc2ccc(Cl)cc2)c2ccccc21
2 meas.
MOL
3D
#5152
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].[O-]c1ccccc1-[n+]1[c-]n(CCc2ccccc2)c2ccccc21
2 meas.
MOL
3D
#5151
Ir(3)
donors: {"N": 1, "O": 1}
CCCCCn1[c-][n+](-c2ccccc2[O-])c2ccccc21.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
2 meas.
MOL
3D
#5150
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[O-]c1ccccc1-[n+]1[c-]n(CCc2ccc(F)cc2)c2ccccc21
2 meas.
MOL
3D
#5149
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[O-]c1ccccc1-[n+]1[c-]n(CCc2ccc(Cl)cc2)c2ccccc21
2 meas.
MOL
3D
#5148
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[O-]c1ccccc1-[n+]1[c-]n(CCc2ccccc2)c2ccccc21
3 meas.
MOL
3D
#5147
Ir(3)
donors: {"N": 1, "O": 1}
CCCCCn1[c-][n+](-c2ccccc2[O-])c2ccccc21.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5146
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[O-]c1ccccc1-[n+]1[c-]n(CCc2ccc(F)cc2)cc1
2 meas.
MOL
3D
#5145
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[O-]c1ccccc1-[n+]1[c-]n(CCc2ccc(Cl)cc2)cc1
2 meas.
MOL
3D
#5144
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[O-]c1ccccc1-[n+]1[c-]n(CCc2ccccc2)cc1
3 meas.
MOL
3D
#5143
Ir(3)
donors: {"N": 1, "O": 1}
CCCCCn1[c-][n+](-c2ccccc2[O-])cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5142
Ir(3)
donors: {"N": 6}
Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.[Cl-].[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5141
Ir(3)
donors: {"N": 7}
Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.[Cl-].c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#5140
Ir(3)
donors: {"N": 6}
[Cl-].[c-]1ccccc1-c1ccccn1.c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
5 meas.
MOL
3D
#5139
Ir(3)
donors: {"N": 7}
[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#5138
Ir(3)
donors: {"N": 6}
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C...
4 meas.
MOL
3D
#5137
Ir(3)
donors: {"N": 6}
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5136
Ir(3)
donors: {"N": 6}
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1ccnc(-c2cc(C)ccn2)c1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c...
4 meas.
MOL
3D
#5135
Ir(3)
donors: {"N": 6}
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1ccnc(-c2cc(C)ccn2)c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5134
Ir(3)
donors: {"N": 5}
O=C(Nc1cc2cccnc2c2ncccc12)C1Cc2ccccc2OC1=O.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
5 meas.
MOL
3D
#5133
Ir(3)
donors: {"N": 5}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(Nc1cc2cccnc2c2ncccc12)C1Cc2ccccc2OC1=O
5 meas.
MOL
3D
#5132
Ir(3)
donors: {"N": 5}
O=C(Nc1cc2cccnc2c2ncccc12)C1Cc2ccccc2OC1=O.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5131
Ir(3)
donors: {"N": 6}
[Cl-].[c-]1cccc2c1c1ncccc1c1nc3cc4ccccc4cc3nc21.c1ccc(-c2ccc(-c3ccccn3)nc2)nc1
5 meas.
MOL
3D
#5130
Ir(3)
donors: {"N": 6}
[Cl-].[c-]1cccc2c1c1ncccc1c1nc3ccccc3nc21.c1ccc(-c2ccc(-c3ccccn3)nc2)nc1
5 meas.
MOL
3D
#5129
Ir(3)
donors: {"N": 6}
[Cl-].[c-]1cccc2c1c1ncccc1c1nccnc21.c1ccc(-c2ccc(-c3ccccn3)nc2)nc1
5 meas.
MOL
3D
#5128
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2oc(-c3ccnc(-c4cc(-c5nc6ccccc6o5)ccn4)c3)nc2c1
8 meas.
MOL
3D
#5127
Ir(3)
donors: {"N": 5}
Cc1ccnc(-c2cc(-c3nc4ccccc4o3)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
8 meas.
MOL
3D
#5126
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1
2 meas.
MOL
3D
#5125
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2[nH]c(-c3cscn3)nc2c1
2 meas.
MOL
3D
#5124
Ir(3)
donors: {"N": 3}
CC(C)c1cccc(C(C)C)c1/N=C/c1nc2ccccc2c2ncccc12.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
2 meas.
MOL
3D
#5123
Ir(3)
donors: {"N": 3}
CC(C)c1cccc(C(C)C)c1/N=C/c1nc2ccccc2c2ncccc12.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
2 meas.
MOL
3D
#5122
Ir(3)
donors: {"N": 3}
CC(C)c1cccc(C(C)C)c1/N=C/c1nc2ccccc2c2ncccc12.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5121
Ir(3)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2cc(F)ccc2n1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
2 meas.
MOL
3D
#5120
Ir(3)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2cc(F)ccc2n1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
2 meas.
MOL
3D
#5119
Ir(3)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2cc(F)ccc2n1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5118
Ir(3)
donors: {"N": 6}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5117
Ir(3)
donors: {"N": 6}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
9 meas.
MOL
3D
#5116
Ir(3)
donors: {"N": 6}
O=Cc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
7 meas.
MOL
3D
#5115
Ir(3)
donors: {"N": 6}
O=Cc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
7 meas.
MOL
3D
#5114
Ir(3)
donors: {"N": 6}
O=Cc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5113
Ir(3)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1cc2ccccc2cn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5112
Ir(3)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
6 meas.
MOL
3D
#5111
Ir(3)
donors: {"O": 1, "N": 2}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
3 meas.
MOL
3D
#5110
Ir(3)
donors: {"O": 1, "N": 2}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
3 meas.
MOL
3D
#5109
Ir(3)
donors: {"O": 1, "N": 2}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1cc2ccccc2cn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
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39/142 (7058 total)