C185H172F6N12O10Pt4-4 — CID 162279366
1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(4-tert-butylphenyl)-5-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[4-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-1,3,4-oxadiazole;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(5,5-dimethylhex-2-ene-2,4-diol);2-phenylpyridine;platinum (PubChem CID 162279366) has the molecular formula C185H172F6N12O10Pt4-4 and a molecular weight of 3617.78 g/mol. Its IUPAC name is 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(4-tert-butylphenyl)-5-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[4-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-1,3,4-oxadiazole;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(5,5-dimethylhex-2-ene-2,4-diol);2-phenylpyridine;platinum.
| Compound Name | 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(4-tert-butylphenyl)-5-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[4-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-1,3,4-oxadiazole;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(5,5-dimethylhex-2-ene-2,4-diol);2-phenylpyridine;platinum |
|---|---|
| PubChem CID | 162279366 |
| Molecular Formula | C185H172F6N12O10Pt4-4 |
| Molecular Weight | 3617.78 g/mol |
| Exact Mass | 3615.18 |
| IUPAC Name | 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(4-tert-butylphenyl)-5-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[4-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-1,3,4-oxadiazole;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(5,5-dimethylhex-2-ene-2,4-diol);2-phenylpyridine;platinum |
| SMILES | CC(C)(C)C(=O)CC(=O)CCc1ccc(-n2c3ccc(CCn4c5ccccc5c5ccccc54)cc3c3cc(CCn4c5ccccc5c5ccccc54)ccc32)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccc(CCc5ccc(-c6[c-]cc(F)cc6F)nc5)cc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(CCc4ccc(-c5[c-]cc(F)cc5F)nc4)cc3)o2)cc1.CC(O)=CC(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(O)=CC(O)C(C)(C)C.CC(O)=CC(O)C(C)(C)C.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1-c1ccccn1 |
| InChI | InChI=1S/C55H49N3O2.C37H30F2N3O.C31H26F2N3O.C24H21NO2.C11H6F2N.C11H8N.2C8H16O2.4Pt/c1-55(2,3)54(60)36-41(59)27-22-37-20-25-40(26-21-37)58-52-28-23-38(30-32-56-48-16-8-4-12-42(48)43-13-5-9-17-49(43)56)34-46(52)47-35-39(24-29-53(47)58)31-33-57-50-18-10-6-14-44(50)45-15-7-11-19-51(45)57;1-37(2,3)30-17-15-29(16-18-30)36-42-41-35(43-36)28-13-11-27(12-14-28)26-9-6-24(7-10-26)4-5-25-8-21-34(40-23-25)32-20-19-31(38)22-33(32)39;1-31(2,3)24-13-11-23(12-14-24)30-36-35-29(37-30)22-9-6-20(7-10-22)4-5-21-8-17-28(34-19-21)26-16-15-25(32)18-27(26)33;1-17(26)16-20(27)15-12-18-10-13-19(14-11-18)25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-6(9)5-7(10)8(2,3)4;;;;/h4-21,23-26,28-29,34-35H,22,27,30-33,36H2,1-3H3;6-19,21-23H,4-5H2,1-3H3;6-15,17-19H,4-5H2,1-3H3;2-11,13-14,16,26H,12,15H2,1H3;1-4,6-7H;1-6,8-9H;2*5,7,9-10H,1-4H3;;;;/q;2*-1;;2*-1;;;;;; |
| InChIKey | RBLYZGLYGXHKES-UHFFFAOYSA-N |
| XLogP | 44.74 |
| TPSA | 301.48 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 217 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3617.78 |
| LogP ≤ 5 | 44.74 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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