C108H93F27N4O16Pt4-4 — CID 161156746
2-(2,4-dimethoxybenzene-6-id-1-yl)-4-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;tetrakis(4-hydroxypent-3-en-2-one);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[2-methoxy-4-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum (PubChem CID 161156746) has the molecular formula C108H93F27N4O16Pt4-4 and a molecular weight of 2996.20 g/mol. Its IUPAC name is 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;tetrakis(4-hydroxypent-3-en-2-one);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[2-methoxy-4-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum.
| Compound Name | 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;tetrakis(4-hydroxypent-3-en-2-one);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[2-methoxy-4-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum |
|---|---|
| PubChem CID | 161156746 |
| Molecular Formula | C108H93F27N4O16Pt4-4 |
| Molecular Weight | 2996.20 g/mol |
| Exact Mass | 2994.48 |
| IUPAC Name | 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;tetrakis(4-hydroxypent-3-en-2-one);4-methoxy-2-[2-methoxy-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-methoxy-2-[2-methoxy-4-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum |
| SMILES | CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1c[c-]c(-c2cc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)ccn2)c(OC)c1.COc1ccnc(-c2[c-]cc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cc2OC)c1.COc1ccnc(-c2[c-]cc(-c3c(C)cc(C)cc3C)cc2OC)c1.COc1ccnc(-c2[c-]cc(OC)cc2-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/3C22H13F9NO2.C22H22NO2.4C5H8O2.4Pt/c1-33-12-3-4-14(18-10-13(34-2)5-6-32-18)15(9-12)19-16(21(26,27)28)7-11(20(23,24)25)8-17(19)22(29,30)31;1-33-13-3-4-14(18(10-13)34-2)17-7-11(5-6-32-17)19-15(21(26,27)28)8-12(20(23,24)25)9-16(19)22(29,30)31;1-33-13-5-6-32-17(10-13)14-4-3-11(7-18(14)34-2)19-15(21(26,27)28)8-12(20(23,24)25)9-16(19)22(29,30)31;1-14-10-15(2)22(16(3)11-14)17-6-7-19(21(12-17)25-5)20-13-18(24-4)8-9-23-20;4*1-4(6)3-5(2)7;;;;/h3*3,5-10H,1-2H3;6,8-13H,1-5H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;; |
| InChIKey | CAMQIUKDJGVZDW-UHFFFAOYSA-N |
| XLogP | 31.17 |
| TPSA | 274.60 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 159 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2996.20 |
| LogP ≤ 5 | 31.17 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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