C119H89EuF6Ir3N16O7PtReRh-5 — CID 158590729
10H-benzo[h]quinolin-10-ide;3,5-bis(trifluoromethyl)pyrazol-1-ide;ethenone;europium;(3-hydroxy-1,3-diphenylprop-2-enylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;tris(iridium);1,10-phenanthroline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-pyrrol-1-id-2-ylpyridine;tris(pyrrolo[3,2-h]quinolin-1-ide);rhenium;rhodium (PubChem CID 158590729) has the molecular formula C119H89EuF6Ir3N16O7PtReRh-5 and a molecular weight of 3181.92 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;3,5-bis(trifluoromethyl)pyrazol-1-ide;ethenone;europium;(3-hydroxy-1,3-diphenylprop-2-enylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;tris(iridium);1,10-phenanthroline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-pyrrol-1-id-2-ylpyridine;tris(pyrrolo[3,2-h]quinolin-1-ide);rhenium;rhodium.
| Compound Name | 10H-benzo[h]quinolin-10-ide;3,5-bis(trifluoromethyl)pyrazol-1-ide;ethenone;europium;(3-hydroxy-1,3-diphenylprop-2-enylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;tris(iridium);1,10-phenanthroline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-pyrrol-1-id-2-ylpyridine;tris(pyrrolo[3,2-h]quinolin-1-ide);rhenium;rhodium |
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| PubChem CID | 158590729 |
| Molecular Formula | C119H89EuF6Ir3N16O7PtReRh-5 |
| Molecular Weight | 3181.92 g/mol |
| Exact Mass | 3184.34 |
| IUPAC Name | 10H-benzo[h]quinolin-10-ide;3,5-bis(trifluoromethyl)pyrazol-1-ide;ethenone;europium;(3-hydroxy-1,3-diphenylprop-2-enylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;tris(iridium);1,10-phenanthroline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-pyrrol-1-id-2-ylpyridine;tris(pyrrolo[3,2-h]quinolin-1-ide);rhenium;rhodium |
| SMILES | C=C=O.C=C=O.C=C=O.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Eu].[H]/[O+]=C(/C=C(O)c1ccccc1)c1ccccc1.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Pt].[Re].[Rh].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cc[n-]c12.c1cnc2c(c1)ccc1cc[n-]c12.c1cnc2c(c1)ccc1cc[n-]c12.c1cnc2c(c1)ccc1cccnc12 |
| InChI | InChI=1S/C15H12O2.C13H8N.C12H8N2.3C11H7N2.C11H8N.C10H8N2.C9H7N2.C5HF6N2.C5H8O2.3C2H2O.Eu.3Ir.Pt.Re.Rh/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-2-8-3-4-9-5-7-13-11(9)10(8)12-6-1;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-6-10-8(4-1)9-5-3-7-11-9;6-4(7,8)2-1-3(13-12-2)5(9,10)11;1-4(6)3-5(2)7;3*1-2-3;;;;;;;/h1-11,16H;1-5,7-9H;1-8H;3*1-7H;1-6,8-9H;1-8H;1-7H;1H;3,6H,1-2H3;3*1H2;;;;;;;/q;-1;;4*-1;;2*-1;;;;;;;;;;;/p+2 |
| InChIKey | MXEGZVYOBIIOFO-UHFFFAOYSA-P |
| XLogP | 25.67 |
| TPSA | 346.76 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 155 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3181.92 |
| LogP ≤ 5 | 25.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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