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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
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Ru
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#5508
Ir(3)
donors: {"N": 6}
COc1ccc(OC)c2nc3c4cccnc4c4ncccc4c3nc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5507
Ir(3)
donors: {"O": 2, "N": 2}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])ccn2)c1.[Cl-]
3 meas.
MOL
3D
#5506
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Clc1ccnc(-c2cc(Cl)ccn2)c1.[Cl-]
3 meas.
MOL
3D
#5505
Ir(3)
donors: {"N": 2}
COc1ccnc(-c2cc(OC)ccn2)c1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
3 meas.
MOL
3D
#5504
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Oc1ccnc(-c2cc(O)ccn2)c1.[Cl-]
3 meas.
MOL
3D
#5503
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Nc1ccnc(-c2cc(N)ccn2)c1.[Cl-]
3 meas.
MOL
3D
#5502
Ir(3)
donors: {"N": 8}
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn...
5 meas.
MOL
3D
#5501
Ir(3)
donors: {"N": 8}
CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5500
Ir(3)
donors: {"N": 8}
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1ccnc(-c2cc(C)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccc...
5 meas.
MOL
3D
#5499
Ir(3)
donors: {"N": 8}
CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1/N=C/c1ccnc(-c2cc(C)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn...
5 meas.
MOL
3D
#5498
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].c1ccc(-n2ccc3cccnc32)nc1
7 meas.
MOL
3D
#5497
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-n2ccc3cccnc32)nc1
2 meas.
MOL
3D
#5496
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[c-]1ccsc1-n1ccc2cccnc21
2 meas.
MOL
3D
#5495
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1ccsc1-n1ccc2cccnc21
2 meas.
MOL
3D
#5494
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[c-]1ccccc1-n1ccc2cccnc21
2 meas.
MOL
3D
#5493
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1ccccc1-n1ccc2cccnc21
2 meas.
MOL
3D
#5492
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5491
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Cl-]
1 meas.
MOL
3D
#5490
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1ccccc1-c1ccc2ccccc2n1
1 meas.
MOL
3D
#5489
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1c[c-]c(-c2ccccn2)cc1.[Cl-]
1 meas.
MOL
3D
#5488
Ir(3)
donors: {"N": 3}
COc1ccc([N-]C(=O)c2nn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
2 meas.
MOL
3D
#5487
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Cc1ccc([N-]C(=O)c2nn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1.[Cl-]
2 meas.
MOL
3D
#5486
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([N-]c1ccc(I)cc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-]
2 meas.
MOL
3D
#5485
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([N-]c1ccc(Cl)cc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-]
2 meas.
MOL
3D
#5484
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([N-]c1ccc(F)cc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-]
3 meas.
MOL
3D
#5483
Ir(3)
donors: {"N": 3}
COc1ccc([N-]C(=O)c2nn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#5482
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc([N-]C(=O)c2nn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1.[Cl-]
2 meas.
MOL
3D
#5481
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1ccc(I)cc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-]
3 meas.
MOL
3D
#5480
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1ccc(Cl)cc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-]
3 meas.
MOL
3D
#5479
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1ccc(F)cc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-]
2 meas.
MOL
3D
#5478
Ir(3)
donors: {"N": 5}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1
2 meas.
MOL
3D
#5477
Ir(3)
donors: {"N": 5}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Clc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
2 meas.
MOL
3D
#5476
Ir(3)
donors: {"N": 1, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCCCC3)cc([O-])c12.[Cl-]
5 meas.
MOL
3D
#5475
Ir(3)
donors: {"O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=c1cc(-c2ccccc2)oc2cc(OCCCCBr)cc([O-])c12.[Cl-]
2 meas.
MOL
3D
#5474
Ir(3)
donors: {"O": 1}
CCCCOc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5473
Ir(3)
donors: {"O": 1}
CCOc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5472
Ir(3)
donors: {"N": 3}
COc1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)cc2)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
1 meas.
MOL
3D
#5471
Ir(3)
donors: {"N": 3}
COc1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)cc2)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
1 meas.
MOL
3D
#5470
Ir(3)
donors: {"N": 3}
COc1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)cc2)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5469
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)cc2)cc1.[Cl-]
1 meas.
MOL
3D
#5468
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)cc2)cc1.[Cl-]
1 meas.
MOL
3D
#5467
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)cc2)cc1.[Cl-]
1 meas.
MOL
3D
#5466
Ir(3)
donors: {"N": 4}
CCCC[n+]1[c-]n(Cn2[c-][n+](CCCC)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5465
Ir(3)
donors: {"N": 4}
CCn1[c-][n+](Cn2[c-][n+](CC)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5464
Ir(3)
donors: {"N": 4}
C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5463
Ir(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Nc1ccccc1-c1ccccc1N
2 meas.
MOL
3D
#5462
Ir(3)
donors: {"N": 4}
CCOCCOc1cc(C)nc2c1ccc1c(OCCOCC)cc(C)nc12.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1
2 meas.
MOL
3D
#5461
Ir(3)
donors: {"N": 4}
CCCCCOc1cc(C)nc2c1ccc1c(OCCCCC)cc(C)nc12.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1
2 meas.
MOL
3D
#5460
Ir(3)
donors: {"N": 4}
Cn1[c-][n+](-c2[c-]cc(C(F)(F)F)cc2)cc1.Cn1[c-][n+](-c2[c-]cc(C(F)(F)F)cc2)cc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#5459
Ir(3)
donors: {"N": 4}
Cn1[c-][n+](-c2[c-]cccc2)cc1.Cn1[c-][n+](-c2[c-]cccc2)cc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
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32/142 (7058 total)