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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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Os
Re
Rh
Ru
Ox. State
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#5608
Ir(3)
donors: {"N": 4}
Cc1ccnc(-c2cc(CO)ccn2)c1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
5 meas.
MOL
3D
#5607
Ir(3)
donors: {"N": 4}
Cc1ccnc(-c2cc(CO)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
5 meas.
MOL
3D
#5606
Ir(3)
donors: {"N": 4}
Cc1ccnc(-c2cc(CO)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5605
Ir(3)
donors: {"N": 4}
CCCC(CCC)C(=O)OCc1ccnc(-c2cc(C)ccn2)c1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
5 meas.
MOL
3D
#5604
Ir(3)
donors: {"N": 4}
CCCC(CCC)C(=O)OCc1ccnc(-c2cc(C)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
5 meas.
MOL
3D
#5603
Ir(3)
donors: {"N": 4}
CCCC(CCC)C(=O)OCc1ccnc(-c2cc(C)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5602
Ir(3)
donors: {"N": 4, "O": 2}
NCCN.O=C([O-])c1cc(-c2[c-]cccc2)nc2ccccc12.O=C([O-])c1cc(-c2[c-]cccc2)nc2ccccc12
1 meas.
MOL
3D
#5601
Ir(3)
donors: {"N": 4, "O": 2}
NCCN.O=C([O-])c1c[c-]c(-c2ccccn2)cc1.O=C([O-])c1c[c-]c(-c2ccccn2)cc1
1 meas.
MOL
3D
#5600
Ir(3)
donors: {"N": 4}
COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.NCCN
1 meas.
MOL
3D
#5599
Ir(3)
donors: {"N": 4}
COC(=O)c1c[c-]c(-c2ccccn2)cc1.COC(=O)c1c[c-]c(-c2ccccn2)cc1.NCCN
1 meas.
MOL
3D
#5598
Ir(3)
donors: {"N": 7}
CCCCNC(=O)c1cnc2c3cccnc3c3ncccc3c2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
2 meas.
MOL
3D
#5597
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
MOL
3D
#5596
Ir(3)
donors: {"N": 7}
CCCCNC(=O)c1cnc2c3cccnc3c3ncccc3c2n1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
2 meas.
MOL
3D
#5595
Ir(3)
donors: {"N": 6}
[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
MOL
3D
#5594
Ir(3)
donors: {"N": 6}
CCCCNC(=O)c1cnc2c3cccnc3c3ncccc3c2n1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
2 meas.
MOL
3D
#5593
Ir(3)
donors: {"N": 8}
[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
MOL
3D
#5592
Ir(3)
donors: {"N": 6}
CCCCNC(=S)Nc1cc2cccnc2c2ncccc12.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1
1 meas.
MOL
3D
#5591
Ir(3)
donors: {"N": 5}
S=C=Nc1cc2cccnc2c2ncccc12.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1
1 meas.
MOL
3D
#5590
Ir(3)
donors: {"N": 5}
Nc1cc2cccnc2c2ncccc12.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1
1 meas.
MOL
3D
#5589
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2cc3[nH]c(-c4ccc5ccccc5n4)nc3cc2c1
3 meas.
MOL
3D
#5588
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1
3 meas.
MOL
3D
#5587
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3cc4ccccc4cc3[nH]2)nc1
3 meas.
MOL
3D
#5586
Ir(3)
donors: {"N": 6}
Cn1ccnc1-c1nccn1C.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
4 meas.
MOL
3D
#5585
Ir(3)
donors: {"N": 6}
Cn1ccnc1-c1nccn1C.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5584
Ir(3)
donors: {"N": 6}
[c-]1cccc2c1c1nccnc1c1ccccc21.[c-]1cccc2c1c1nccnc1c1ccccc21.c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccccc3)c...
2 meas.
MOL
3D
#5583
Ir(3)
donors: {"N": 7}
[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccccc3)cc2)cc1
2 meas.
MOL
3D
#5582
Ir(3)
donors: {"N": 7}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccccc3)cc2)cc1
2 meas.
MOL
3D
#5581
Ir(3)
donors: {"N": 7}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2CCN2CCOCC2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5580
Ir(3)
donors: {"N": 5}
CCNC(=O)c1ccnc(-c2cc(C)ccn2)c1.O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1
1 meas.
MOL
3D
#5579
Ir(3)
donors: {"N": 5}
CCNC(=O)c1ccnc(-c2cc(C)ccn2)c1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1
1 meas.
MOL
3D
#5578
Ir(3)
donors: {"N": 5}
CCNC(=O)c1ccnc(-c2cc(C)ccn2)c1.[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1cc(-c2ccccc2)ccc1-c1ccccn1
1 meas.
MOL
3D
#5577
Ir(3)
donors: {"N": 6}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Nc1ccnc(-c2cc(N)ccn2)c1
2 meas.
MOL
3D
#5576
Ir(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
2 meas.
MOL
3D
#5575
Ir(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc2cccnc2c2ncccc12
2 meas.
MOL
3D
#5574
Ir(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Clc1cc2cccnc2c2ncccc12
2 meas.
MOL
3D
#5573
Ir(3)
donors: {"N": 5}
CC(=O)Oc1ccc(CCNC(=O)c2cc3cccnc3c3ncccc23)cc1OC(C)=O.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5572
Ir(3)
donors: {"N": 5}
O=C(NCCc1ccc(O)c(O)c1)c1cc2cccnc2c2ncccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
1 meas.
MOL
3D
#5571
Ir(3)
donors: {"N": 5}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(NCCc1ccc(O)c(O)c1)c1cc2cccnc2c2ncccc12
1 meas.
MOL
3D
#5570
Ir(3)
donors: {"N": 5}
O=C(NCCc1ccc(O)c(O)c1)c1cc2cccnc2c2ncccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5569
Ir(3)
donors: {"N": 4}
ClCc1ccnc(-c2cc(CCl)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
6 meas.
MOL
3D
#5568
Ir(3)
donors: {"N": 4}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.OCc1ccnc(-c2cc(CO)ccn2)c1
6 meas.
MOL
3D
#5567
Ir(3)
donors: {"N": 4}
ClCc1ccnc(-c2cc(CCl)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5566
Ir(3)
donors: {"N": 4}
CCCC[n+]1[c-]n(Cn2[c-][n+](CCCC)cc2)cc1.[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1cc2ccccc2cc1-c1nccc2ccccc12
1 meas.
MOL
3D
#5565
Ir(3)
donors: {"N": 4}
CCCC[n+]1[c-]n(Cn2[c-][n+](CCCC)cc2)cc1.Cc1cc(-c2[c-]ccs2)nc2ccccc12.Cc1cc(-c2[c-]ccs2)nc2ccccc12
1 meas.
MOL
3D
#5564
Ir(3)
donors: {"N": 4}
CCCC[n+]1[c-]n(Cn2[c-][n+](CCCC)cc2)cc1.FC(F)(F)c1ccc2nc(-c3[c-]cccc3)sc2c1.FC(F)(F)c1ccc2nc(-c3[c-]cccc3)sc2c1
1 meas.
MOL
3D
#5563
Ir(3)
donors: {"N": 4}
CCCC[n+]1[c-]n(Cn2[c-][n+](CCCC)cc2)cc1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1
1 meas.
MOL
3D
#5562
Ir(3)
donors: {"N": 4}
C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
1 meas.
MOL
3D
#5561
Ir(3)
donors: {"N": 8}
CCCCCCCCCCNCc1cc[c-]c(-c2cc(CNCCCCCCCCCC)ccn2)c1.CCCCCCCCCCNCc1cc[c-]c(-c2cc(CNCCCCCCCCCC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c...
1 meas.
MOL
3D
#5560
Ir(3)
donors: {"N": 8}
CCCCCCCCNCc1cc[c-]c(-c2cc(CNCCCCCCCC)ccn2)c1.CCCCCCCCNCc1cc[c-]c(-c2cc(CNCCCCCCCC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
1 meas.
MOL
3D
#5559
Ir(3)
donors: {"N": 8}
CCCCCCNCc1cc[c-]c(-c2cc(CNCCCCCC)ccn2)c1.CCCCCCNCc1cc[c-]c(-c2cc(CNCCCCCC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
1 meas.
MOL
3D
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30/142 (7058 total)