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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
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Au
Ir
Os
Re
Rh
Ru
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#5364
Ir(3)
donors: {"N": 4}
CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
5 meas.
MOL
3D
#5363
Ir(3)
donors: {"N": 4}
COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
5 meas.
MOL
3D
#5362
Ir(3)
donors: {"N": 4, "O": 1}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1
5 meas.
MOL
3D
#5361
Ir(3)
donors: {"N": 4}
CC(C)COC(=O)c1ccnc(-c2cc(C(=O)OCC(C)C)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5360
Ir(3)
donors: {"N": 4}
CCCCOC(=O)c1ccnc(-c2cc(C(=O)OCCCC)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5359
Ir(3)
donors: {"N": 4}
CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5358
Ir(3)
donors: {"N": 4}
COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5357
Ir(3)
donors: {"O": 1, "N": 4}
O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5356
Ir(3)
donors: {"N": 4}
CC#N.CC#N.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
4 meas.
MOL
3D
#5355
Ir(3)
donors: {"N": 7}
CN(C)C(=N)NC(=N)N.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
4 meas.
MOL
3D
#5354
Ir(3)
donors: {"N": 7}
CN(C)C(=N)NC(=N)N.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5353
Ir(3)
donors: {"N": 7}
CN(C)C(=N)NC(=N)N.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
4 meas.
MOL
3D
#5352
Ir(3)
donors: {"N": 4}
CCn1[c-][n+](/C(C)=N/c2c(C(C)C)cccc2C(C)C)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5351
Ir(3)
donors: {"N": 4}
C/C(=N\c1c(C(C)C)cccc1C(C)C)[n+]1[c-]n(C)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5350
Ir(3)
donors: {"N": 4}
CCCCn1[c-][n+](/C(C)=N/c2c(C)cccc2C)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5349
Ir(3)
donors: {"N": 4}
CCn1[c-][n+](/C(C)=N/c2c(C)cccc2C)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5348
Ir(3)
donors: {"N": 4}
C/C(=N\c1c(C)cccc1C)[n+]1[c-]n(C)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5347
Ir(3)
donors: {"N": 6}
Oc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5346
Ir(3)
donors: {"N": 6}
O=C(OCCCOc1ccc(-n2c(-c3ccccc3)nc3c4cccnc4c4ncccc4c32)cc1)C(Cl)Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5345
Ir(3)
donors: {"N": 6}
O=C(OCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1)C(Cl)Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5344
Ir(3)
donors: {"N": 6}
O=C(OCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(OCCCOC(=O)C(Cl)Cl)cc2)cc1)C(Cl)Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccc...
4 meas.
MOL
3D
#5343
Ir(3)
donors: {"P": 1, "O": 1}
COc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)[O-].Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5342
Ir(3)
donors: {"P": 1, "O": 1}
COc1cccc(OC)c1-c1ccccc1P(c1ccccc1)c1ccccc1S(=O)(=O)[O-].Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5341
Ir(3)
donors: {"O": 1, "P": 1}
Cc1c(C)c(C)[c-](C)c1C.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
2 meas.
MOL
3D
#5340
Ir(3)
donors: {"O": 1, "P": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=S(=O)([O-])c1ccccc1P(C1CCCCC1)C1CCCCC1.[Cl-]
3 meas.
MOL
3D
#5339
Ir(3)
donors: {"O": 1, "P": 1}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.O=S(=O)([O-])c1ccccc1P(C1CCCCC1)C1CCCCC1.[Cl-]
3 meas.
MOL
3D
#5338
Ir(3)
donors: {"O": 1, "P": 1}
Cc1c(C)c(C)[c-](C)c1C.O=S(=O)([O-])c1ccccc1P(C1CCCCC1)C1CCCCC1.[Cl-]
3 meas.
MOL
3D
#5337
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
4 meas.
MOL
3D
#5336
Ir(3)
donors: {"N": 6}
[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
4 meas.
MOL
3D
#5335
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
4 meas.
MOL
3D
#5334
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].c1ccc(N(c2ccccc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1
1 meas.
MOL
3D
#5333
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].c1ccc(N(c2ccccc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1
1 meas.
MOL
3D
#5332
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(N(c2ccccc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1
1 meas.
MOL
3D
#5331
Ir(3)
donors: {"N": 3}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
1 meas.
MOL
3D
#5330
Ir(3)
donors: {"N": 3}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
1 meas.
MOL
3D
#5329
Ir(3)
donors: {"N": 3}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5328
Ir(3)
donors: {"N": 4}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)ccn4)c3)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccc...
1 meas.
MOL
3D
#5327
Ir(3)
donors: {"N": 4}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)ccn4)c3)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccc...
1 meas.
MOL
3D
#5326
Ir(3)
donors: {"N": 4}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)ccn4)c3)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C....
1 meas.
MOL
3D
#5325
Ir(3)
donors: {"N": 6}
Cc1c(CC(=O)Nc2cc3cccnc3c3ncccc23)c2ccccc2n1C(=O)c1ccc(Cl)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#5324
Ir(3)
donors: {"N": 6}
Cc1c(CC(=O)Nc2cc3cccnc3c3ncccc23)c2ccccc2n1Cc1ccc(Cl)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5323
Ir(3)
donors: {"N": 5}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Nc1cc2cccnc2c2ncccc12
6 meas.
MOL
3D
#5322
Ir(3)
donors: {"O": 1, "N": 5}
[O-]c1ccc(Br)c2cccnc12.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
3 meas.
MOL
3D
#5321
Ir(3)
donors: {"O": 1, "N": 3}
[O-]c1ccc(Br)c2cccnc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5320
Ir(3)
donors: {"N": 6}
Brc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Br.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#5319
Ir(3)
donors: {"N": 6}
Brc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Br.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
6 meas.
MOL
3D
#5318
Ir(3)
donors: {"N": 6}
Brc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Br.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5317
Ir(3)
donors: {"O": 1, "N": 3}
[O-]c1ccc(Br)c2cccnc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
3 meas.
MOL
3D
#5316
Ir(3)
donors: {"O": 1, "N": 3}
[O-]c1cccc2c(Br)ccnc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
3 meas.
MOL
3D
#5315
Ir(3)
donors: {"N": 2, "O": 2}
CCC/N=C/c1cc(S(=O)(=O)[O-])ccc1[O-].Cc1c(C)c(C)[c-](C)c1C.[Na+].c1ccc(-c2ccncc2)cc1
1 meas.
MOL
3D
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82/189 (9414 total)