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complexes
Ir C^N families
cell death map
D-MPNN
Coordination Complexes
9414 complexes in database
9414
Total
4834
Ru
2220
Au
1431
Ir
339
Rh
337
Os
253
Re
Metal
All
Au
Ir
Os
Re
Rh
Ru
Ox. State
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Donor atoms
Has 3D struct
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#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
#5558
Ir(3)
donors: {"N": 8}
CCCCNCc1cc[c-]c(-c2cc(CNCCCC)ccn2)c1.CCCCNCc1cc[c-]c(-c2cc(CNCCCC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
1 meas.
MOL
3D
#5557
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1
23 meas.
MOL
3D
#5556
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1
23 meas.
MOL
SDF
PDB
XYZ
3D
#5555
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1
23 meas.
MOL
SDF
PDB
XYZ
3D
#5554
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1
25 meas.
MOL
SDF
PDB
XYZ
3D
#5553
Ir(3)
donors: {"N": 8}
CC1(C)CC(NC(=O)c2ccnc(-c3cc(C(=O)NC4CC(C)(C)N([O])C(C)(C)C4)ccn3)c2)CC(C)(C)N1[O].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccc...
5 meas.
MOL
3D
#5552
Ir(3)
donors: {"N": 6}
Cc1ccnc(-c2cc(C(=O)NC3CC(C)(C)N([O])C(C)(C)C3)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5551
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc2sc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1
1 meas.
MOL
3D
#5550
Ir(3)
donors: {"N": 5}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1
1 meas.
MOL
3D
#5549
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.O=c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)coc2ccccc12.[Cl-]
1 meas.
MOL
3D
#5548
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3ccccc3cc2c1
1 meas.
MOL
3D
#5547
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cccc2c1
2 meas.
MOL
3D
#5546
Ir(3)
donors: {"N": 6}
CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.c1ccncc1.c1ccncc1
6 meas.
MOL
3D
#5545
Ir(3)
donors: {"N": 6, "O": 2}
CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[C-]#[N+]c1ccc(OC)cc1.[C-]#[N+]c1ccc(OC)cc1
6 meas.
MOL
3D
#5544
Ir(3)
donors: {"N": 6}
Cn1[c-][n+](C)cc1.Cn1[c-][n+](C)cc1.Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([n-]4)c(-c4c(F)c(F)c(F)c(F)c4F)c...
6 meas.
MOL
3D
#5543
Ir(3)
donors: {"N": 6}
CC(C)n1[c-][n+](C(C)C)cc1.CC(C)n1[c-][n+](C(C)C)cc1.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)...
6 meas.
MOL
3D
#5542
Ir(3)
donors: {"N": 6}
CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Cn1[c-][n+](C)cc1.Cn1[c-][n+](C)cc1
6 meas.
MOL
3D
#5541
Ir(3)
donors: {"N": 6}
Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.Cn1[c-][n+](C)cc1...
6 meas.
MOL
3D
#5540
Ir(3)
donors: {"N": 5}
Cn1[c-][n+](C)c2ccccc21.Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([n-]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F...
6 meas.
MOL
3D
#5539
Ir(3)
donors: {"N": 5}
Cc1ccnc(-c2cc(CNC(=O)CCCCC3CCSS3)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5538
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(CNC(=O)CCCCC3CCSS3)ccn2)c1.[Cl-]
6 meas.
MOL
3D
#5537
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc2[nH]c(-c3nccc4c3[nH]c3ccccc34)nc2c1
3 meas.
MOL
3D
#5536
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)nccc12
3 meas.
MOL
3D
#5535
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2[nH]c(-c3nccc4c3[nH]c3ccccc34)nc2c1
3 meas.
MOL
3D
#5534
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)nccc12
3 meas.
MOL
3D
#5533
Ir(3)
donors: {"N": 6}
O=Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
8 meas.
MOL
3D
#5532
Ir(3)
donors: {"N": 8}
CC1=CC(C)=[N+]2C1=C(c1ccc(N=C=[N-])cc1)c1c(C)cc(C)n1[B-]2(F)F.COc1cc(-c2nc3ccccc3n2C)[c-]c(-c2nc3ccccc3n2C)c1.[c-]1ccccc...
1 meas.
MOL
3D
#5531
Ir(3)
donors: {"N": 8}
CC1=CC(C)=[N+]2C1=C(c1ccc(N=C=[N-])cc1)c1c(C)cc(C)n1[B-]2(F)F.COc1cc(-c2nc3ccccc3n2C)[c-]c(-c2nc3ccccc3n2C)c1.[c-]1ccccc...
1 meas.
MOL
3D
#5530
Ir(3)
donors: {"N": 7}
CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)OC)ccc21.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
4 meas.
MOL
3D
#5529
Ir(3)
donors: {"N": 7}
CCCCn1c(-c2ccccn2)nc2cc(C(=O)OC)ccc21.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
4 meas.
MOL
3D
#5528
Ir(3)
donors: {"N": 7}
CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)OC)ccc21.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]ccc...
5 meas.
MOL
3D
#5527
Ir(3)
donors: {"N": 7}
CCCCn1c(-c2ccccn2)nc2cc(C(=O)OC)ccc21.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3...
4 meas.
MOL
3D
#5526
Ir(3)
donors: {"N": 7}
CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)OC)ccc21.[c-]1ccccc1-c1nc2ccccc2[nH]1.[c-]1ccccc1-c1nc2ccccc2[nH]1
5 meas.
MOL
3D
#5525
Ir(3)
donors: {"N": 7}
CCCCn1c(-c2ccccn2)nc2cc(C(=O)OC)ccc21.[c-]1ccccc1-c1nc2ccccc2[nH]1.[c-]1ccccc1-c1nc2ccccc2[nH]1
4 meas.
MOL
3D
#5524
Ir(3)
donors: {"N": 6}
[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.c1cnc2c(c1)c1nsnc1c1cccnc12
1 meas.
MOL
3D
#5523
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)c1nsnc1c1cccnc12
1 meas.
MOL
3D
#5522
Ir(3)
donors: {"O": 1, "N": 5}
[O-]c1ccc(F)c2cccnc12.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
3 meas.
MOL
3D
#5521
Ir(3)
donors: {"O": 1, "N": 3}
[O-]c1ccc(F)c2cccnc12.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
3 meas.
MOL
3D
#5520
Ir(3)
donors: {"N": 3, "O": 1}
Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1[c-]cccc1.[O-]c1ccc(F)c2cccnc12
3 meas.
MOL
3D
#5519
Ir(3)
donors: {"O": 1, "N": 3}
[O-]c1ccc(F)c2cccnc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5518
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncccc12)NO
4 meas.
MOL
3D
#5517
Ir(3)
donors: {"N": 6}
O=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncccc12)NO.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
4 meas.
MOL
3D
#5516
Ir(3)
donors: {"N": 6}
O=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncccc12)NO.O=c1oc2ccccc2[c-]c1-c1ccccn1.O=c1oc2ccccc2[c-]c1-c1ccccn1
4 meas.
MOL
3D
#5515
Ir(3)
donors: {"N": 6}
O=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncccc12)NO.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
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78/189 (9414 total)