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Ir C^N families
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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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#8564
Au(1)
donors: {"S": 2, "N": 1, "Cl": 1, "P": 1}
[S-]c1nc2cc(Cl)ccc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8563
Au(1)
donors: {"N": 9, "S": 1, "P": 1}
Nc1nc([S-])c2nc[nH]c2n1.c1ccc(P(Nc2nc[nH]n2)c2ccccc2)cc1
2 meas.
3D
#8562
Au(3)
donors: {"O": 6, "N": 2, "S": 2, "Br": 2}
COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C1CCN(C(=S)[S-])CC1.[Br-].[Br-]
4 meas.
3D
#8561
Au(1)
donors: {"N": 2, "P": 1}
Cc1ccnc(N)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8560
Au(1)
donors: {"N": 2, "O": 2, "S": 1}
Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.O=C(O)c1ccc([S-])cc1
6 meas.
3D
#8559
Au(3)
donors: {"N": 3}
Cn1[c-][n+](C)cc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
6 meas.
3D
#8558
Au(1)
donors: {"N": 2, "P": 1, "Cl": 1}
Cn1ccnc1P(c1ccccc1)c1ccccc1.[Cl-]
9 meas.
3D
#8557
Ir(3)
donors: {"O": 4, "N": 8}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c4nc5c6cccnc6c6ncccc6c5nc34)cc2)cc1.Cc1c[c-]c...
4 meas.
3D
#8556
Au(1)
donors: {"N": 3, "O": 2, "S": 1, "P": 1}
[C-]#CCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8555
Au(1)
donors: {"N": 6, "F": 2, "O": 3}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#Cc1ccc(Nc2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)cc1
2 meas.
3D
#8554
Ir(3)
donors: {"N": 4, "O": 4, "F": 4}
Cc1ccnc(-c2cc(COC(=O)Cc3cccc4c(=O)c5ccc(C)c(C)c5oc34)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
5 meas.
3D
#8553
Au(3)
donors: {"N": 6, "S": 2, "Br": 1}
CCN(CC)C(=S)N=C([N-]N=C([S-])N(C)C)c1ccc(Br)cc1.C[NH+](C)Cc1[c-]cccc1
1 meas.
3D
#8552
Au(1)
donors: {"N": 6}
CN(C)CCCn1[c-][n+](Cc2ccccc2)cc1.CN(C)CCCn1[c-][n+](Cc2ccccc2)cc1
5 meas.
3D
#8551
Au(1)
donors: {"O": 2, "N": 3, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccccc(N/[C-]=[NH+]/c4ccccn4)c-3c(-c3ccc(OC)cc3)c2-c2ccccc2F)cc1.[Cl-]
4 meas.
3D
#8550
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](C)cc1.CCN1CCN(CC)C1=[Se]
3 meas.
3D
#8549
Au(1)
donors: {"N": 2, "P": 1}
NCc1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8548
Au(1)
donors: {"N": 2, "Cl": 1}
Cc1cc2c(cc1C)[n+](Cc1ccc(C(C)(C)C)cc1)[c-]n2Cc1ccc(C(C)(C)C)cc1.[Cl-]
2 meas.
3D
#8547
Au(1)
donors: {"O": 12, "P": 4}
OCCP(CCO)CCO.OCCP(CCO)CCO.OCCP(CCO)CCO.OCCP(CCO)CCO
7 meas.
3D
#8546
Au(3)
donors: {"O": 18, "S": 2, "N": 1}
CC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.[c-]1ccccc1Cc1ccccn1
6 meas.
3D
#8545
Au(3)
donors: {"N": 2}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.c1cnc2c(c1)ccc1cccnc12
4 meas.
3D
#8544
Au(1)
donors: {"O": 1, "N": 3, "S": 1, "P": 1}
COc1ccc(/C=N/NC(N)=S)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8543
Au(1)
donors: {"N": 5, "O": 1, "Br": 1}
CC(C)(C)c1noc(-c2ccc(-n3[c-][n+](-c4ccccn4)cc3)cc2)n1.[Br-]
12 meas.
3D
#8542
Au(1)
donors: {"N": 4, "P": 1, "Cl": 1}
N#CC[N+]12CN3CN(CP(C3)C1)C2.[Cl-]
2 meas.
3D
#8541
Au(1)
donors: {"N": 4, "O": 8}
CCn1[c-][n+](CC)c(-c2cc(OC)c(OC)c(OC)c2)c1-c1ccc(OC)cc1.CCn1[c-][n+](CC)c(-c2cc(OC)c(OC)c(OC)c2)c1-c1ccc(OC)cc1
6 meas.
3D
#8540
Au(3)
donors: {"N": 2, "S": 6}
CCCn1c([S-])c([S-])sc1=[Se].CCCn1c([S-])c([S-])sc1=[Se]
3 meas.
3D
#8539
Au(3)
donors: {"N": 2, "O": 2, "Br": 3}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[Br-].[Br-].[Br-]
3 meas.
3D
#8538
Au(1)
donors: {"N": 4, "S": 1, "O": 1}
Cc1ccnc([S-])n1.OC1CCCCC1[n+]1[c-]n(Cc2ccccc2)cc1
1 meas.
3D
#8537
Au(1)
donors: {"N": 2, "O": 2, "P": 1, "Cl": 1}
NC(=O)CNC(=O)[c]12->[Fe+2]3456789(<-[cH-]1[c]3[c]4[c]25)<-[cH-]1[c]6[c]7[c]8[c]->91P(c1ccccc1)c1ccccc1.[Cl-]
3 meas.
3D
#8536
Au(3)
donors: {"O": 40, "N": 4}
CC(=O)OC[C@@H]1O[C@](C)(Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@]6(C)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]6OC(C)=O)c...
5 meas.
3D
#8535
Au(1)
donors: {"O": 3, "P": 1, "Br": 1}
COP(OC)OC.[Br-]
3 meas.
3D
#8534
Au(1)
donors: {"N": 4, "Cl": 2, "O": 2}
CCn1[c-][n+](CC)c(-c2ccc(Cl)cc2)c1-c1ccc(OC)cc1.CCn1[c-][n+](CC)c(-c2ccc(Cl)cc2)c1-c1ccc(OC)cc1
4 meas.
3D
#8533
Au(1)
donors: {"N": 4, "O": 2, "P": 1}
Cn1c(=O)c2c(ncn2C)n(C)c1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8532
Ir(3)
donors: {"S": 4, "N": 6}
[S-]c1nc2ccccc2c2n1nc([S-])[n+]2-c1ccccc1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1
3 meas.
3D
#8531
Au(1)
donors: {"O": 9, "S": 1, "N": 2}
C=C(OC)OC[C@H]1O[C@@H]([S-])[C@H](OC(=C)OC)[C@@H](OC(=C)OC)[C@H]1OC(=C)OC.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)ccc...
3 meas.
3D
#8530
Au(1)
donors: {"N": 2, "P": 1, "Cl": 1}
CN(C)CCCN=Cc1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
13 meas.
3D
#8529
Au(1)
donors: {"O": 1, "N": 3, "S": 1, "Cl": 1}
COc1ccc(C2CC(c3ccccc3)=NN2C(N)=S)cc1.[Cl-]
3 meas.
3D
#8528
Au(1)
donors: {"O": 3, "N": 3, "S": 1, "P": 1}
COC(=O)C(Cc1c[n-]c2ccccc12)NC(=O)c1cccs1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
3 meas.
3D
#8527
Au(1)
donors: {"N": 3, "O": 2, "Cl": 1}
CCCN1C(=O)c2cccc3c(N4[C-]=[N+](Cc5ccccc5)CC4)ccc(c23)C1=O.[Cl-]
4 meas.
3D
#8526
Au(1)
donors: {"N": 5, "O": 2}
Cn1c(=O)c2c(n(C)[c-][n+]2C)n(C)c1=O.[C-]#Cc1cccnc1
3 meas.
3D
#8525
Ir(3)
donors: {"O": 2, "N": 9, "Cl": 2}
O=C(CCCn1c(-c2ccccn2)nc2ccccc21)NCCNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccc...
1 meas.
3D
#8524
Au(1)
donors: {"N": 3, "S": 1, "F": 1, "Cl": 1}
NC(=S)N1N=C(c2ccccc2)CC1c1ccc(F)cc1.[Cl-]
3 meas.
3D
#8523
Au(1)
donors: {"P": 1, "S": 1, "N": 2, "O": 1}
CCP(CC)CC.[S-]c1nnc(-c2ccccc2)o1
6 meas.
3D
#8522
Au(1)
donors: {"O": 2, "N": 5, "P": 1, "S": 1}
O=C(O)c1ccc(CC[N+]23CN4CN(CP(C4)C2)C3)cc1.[S-]c1ncccn1
2 meas.
3D
#8521
Au(1)
donors: {"O": 5, "N": 1, "S": 2, "P": 1}
CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)OC1O[C@@H]2CN1CCSC1=S.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8520
Au(3)
donors: {"P": 2, "O": 1, "N": 1, "Cl": 1}
C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.O=C(c1[c-]cccc1)c1ccccn1.[Cl-]
4 meas.
3D
#8519
Au(1)
donors: {"N": 3, "O": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.C[C@@H](N)C(=O)[O-]
5 meas.
3D
#8518
Au(3)
donors: {"N": 4, "I": 2}
CCCC[n+]1[c-]n(C)cc1.CCCC[n+]1[c-]n(C)cc1.[I-].[I-]
9 meas.
3D
#8517
Au(3)
donors: {"N": 1}
[H-].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
13 meas.
3D
#8516
Au(1)
donors: {"N": 8, "O": 4}
C=CC[n+]1[c-]n(C)c2c(=O)n(C)c(=O)n(C)c21.C=CC[n+]1[c-]n(C)c2c(=O)n(C)c(=O)n(C)c21
5 meas.
3D
#8515
Au(1)
donors: {"N": 4, "P": 1, "S": 1}
CCCCCCCC[N@+]12C[N@@]3C[N@@](C[P@@](C3)C1)C2.[S-]c1ccccn1
1 meas.
3D
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18/189 (9414 total)