C197H174Ir7N14O8Pt2-8 — CID 157127351
2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;5-hydroxy-2,6-dimethylhept-4-en-3-one;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;2-(2H-naphthalen-2-id-1-yl)benzotriazole;bis(1-phenylisoquinoline);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 157127351) has the molecular formula C197H174Ir7N14O8Pt2-8 and a molecular weight of 4601.32 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;5-hydroxy-2,6-dimethylhept-4-en-3-one;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;2-(2H-naphthalen-2-id-1-yl)benzotriazole;bis(1-phenylisoquinoline);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
| Compound Name | 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;5-hydroxy-2,6-dimethylhept-4-en-3-one;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;2-(2H-naphthalen-2-id-1-yl)benzotriazole;bis(1-phenylisoquinoline);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene |
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| PubChem CID | 157127351 |
| Molecular Formula | C197H174Ir7N14O8Pt2-8 |
| Molecular Weight | 4601.32 g/mol |
| Exact Mass | 4604.04 |
| IUPAC Name | 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;5-hydroxy-2,6-dimethylhept-4-en-3-one;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);3-methyl-7,10-diphenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;2-(2H-naphthalen-2-id-1-yl)benzotriazole;bis(1-phenylisoquinoline);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene |
| SMILES | CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.CC1(C)C2Cc3cc(-c4[c-]cc5c(c4)CCCC5)ncc3C1C2.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cnc2c3[c-]cc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc3c2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt].[c-]1cc2c(cc1-c1cc3c(cn1)C1CCC3C1)CCCC2.[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
| InChI | InChI=1S/C29H19N2.C28H19N3.C22H24N.C20H20N.C17H14N.C16H10N3.2C15H10N.C11H8N.C9H16O2.3C5H8O2.7Ir.2Pt/c1-19-18-30-28-24-14-12-22(20-8-4-2-5-9-20)16-26(24)27-17-23(21-10-6-3-7-11-21)13-15-25(27)29(28)31-19;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-22(2)18-10-17-11-21(23-13-19(17)20(22)12-18)16-8-7-14-5-3-4-6-15(14)9-16;1-2-4-14-9-17(8-5-13(14)3-1)20-11-18-15-6-7-16(10-15)19(18)12-21-20;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-2-8-13-12(6-1)7-5-11-16(13)19-17-14-9-3-4-10-15(14)18-19;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-6(2)8(10)5-9(11)7(3)4;3*1-4(6)3-5(2)7;;;;;;;;;/h2-13,15-18H,1H3;1-12,14,16-21H;7,9,11,13,18,20H,3-6,10,12H2,1-2H3;5,9,11-12,15-16H,1-4,6-7,10H2;3-10H,1-2H3;1-10H;2*1-7,9-11H;1-6,8-9H;5-7,10H,1-4H3;3*3,6H,1-2H3;;;;;;;;;/q-1;-2;7*-1;;;;;;;;;;;;;+2 |
| InChIKey | TZHAUYORERSQPP-UHFFFAOYSA-N |
| XLogP | 47.21 |
| TPSA | 312.05 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4601.32 |
| LogP ≤ 5 | 47.21 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 22 |
| 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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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