C141H89Ir4N18O2S2-7 — CID 159939490
2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole (PubChem CID 159939490) has the molecular formula C141H89Ir4N18O2S2-7 and a molecular weight of 2900.39 g/mol. Its IUPAC name is 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole.
| Compound Name | 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole |
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| PubChem CID | 159939490 |
| Molecular Formula | C141H89Ir4N18O2S2-7 |
| Molecular Weight | 2900.39 g/mol |
| Exact Mass | 2901.54 |
| IUPAC Name | 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole |
| SMILES | Cn1c2ccccc2c2cc[c-]c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccn1.[c-]1ccccc1-c1noc2ccccc12.[c-]1ccccc1-c1nsc2ccccc12.[c-]1ncc2ccccc2c1-c1nsc2ccccc12.[c-]1ncccc1-c1noc2ccccc12 |
| InChI | InChI=1S/C33H22N5.C28H18N3.C26H17N4.C16H9N2S.C13H8NO.C13H8NS.C12H7N2O.4Ir/c1-38-29-18-9-8-15-25(29)26-16-10-17-27(30(26)38)28-21-24(19-20-34-28)33-36-31(22-11-4-2-5-12-22)35-32(37-33)23-13-6-3-7-14-23;1-2-13-23-20(10-1)21-11-9-12-22(24-14-3-6-17-29-24)27(21)28(23,25-15-4-7-18-30-25)26-16-5-8-19-31-26;1-4-10-19(11-5-1)23-18-22(16-17-27-23)26-29-24(20-12-6-2-7-13-20)28-25(30-26)21-14-8-3-9-15-21;1-2-6-12-11(5-1)9-17-10-14(12)16-13-7-3-4-8-15(13)19-18-16;2*1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;/h2-16,18-21H,1H3;1-11,13-19H;1-10,12-18H;1-9H;2*1-6,8-9H;1-7H;;;;/q7*-1;;;; |
| InChIKey | FHMZQTGVCBXPDB-UHFFFAOYSA-N |
| XLogP | 32.87 |
| TPSA | 250.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2900.39 |
| LogP ≤ 5 | 32.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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