C154H157F5N12O4Pt10S4-30 — CID 159715212
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;methoxymethane;2-phenyl-1,3-benzothiazole;5-phenyl-2-phenyl-1,3-oxazole;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 159715212) has the molecular formula C154H157F5N12O4Pt10S4-30 and a molecular weight of 4414.07 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;methoxymethane;2-phenyl-1,3-benzothiazole;5-phenyl-2-phenyl-1,3-oxazole;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
| Compound Name | 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;methoxymethane;2-phenyl-1,3-benzothiazole;5-phenyl-2-phenyl-1,3-oxazole;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine |
|---|---|
| PubChem CID | 159715212 |
| Molecular Formula | C154H157F5N12O4Pt10S4-30 |
| Molecular Weight | 4414.07 g/mol |
| Exact Mass | 4410.79 |
| IUPAC Name | 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;methoxymethane;2-phenyl-1,3-benzothiazole;5-phenyl-2-phenyl-1,3-oxazole;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine |
| SMILES | CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.COC.Cc1c[c-]c(-c2ccccn2)n1C.FC(F)(F)c1ccc[c-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1ncc(-c2ccccc2)o1.[c-]1ccsc1-c1ccccn1 |
| InChI | InChI=1S/C20H17N2O2S.C15H10NO.C15H10N.2C13H8NS.C13H8N.C12H7F3N.C11H6F2N.C11H11N2.C9H6NS.C2H6O.20CH3.10Pt/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-9-6-7-11(13(9)2)10-5-3-4-8-12-10;1-2-6-10-8(4-1)9-5-3-7-11-9;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-10,12H,3-4H2,1-2H3;1-9,11H;1-6,8-11H;1-8H;1-6,8-9H;1-5,7-9H;1-4,6-8H;1-4,6-7H;3-6,8H,1-2H3;1-4,6-7H;1-2H3;20*1H3;;;;;;;;;;/q10*-1;;20*-1;;;;;;;;;; |
| InChIKey | KVKFSYPRYCBKRR-UHFFFAOYSA-N |
| XLogP | 43.39 |
| TPSA | 189.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 189 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4414.07 |
| LogP ≤ 5 | 43.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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