C226H167Ir4N23O4 — CID 158972920
2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium(3+));2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(9-phenyl-3-[6-(9-phenylpyrido[2,3-b]indol-3-yl)hexyl]pyrido[2,3-b]indole);6-pyridin-2-yl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-c]pyridin-7-ide (PubChem CID 158972920) has the molecular formula C226H167Ir4N23O4 and a molecular weight of 4037.85 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium(3+));2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(9-phenyl-3-[6-(9-phenylpyrido[2,3-b]indol-3-yl)hexyl]pyrido[2,3-b]indole);6-pyridin-2-yl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-c]pyridin-7-ide.
| Compound Name | 2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium(3+));2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(9-phenyl-3-[6-(9-phenylpyrido[2,3-b]indol-3-yl)hexyl]pyrido[2,3-b]indole);6-pyridin-2-yl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-c]pyridin-7-ide |
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| PubChem CID | 158972920 |
| Molecular Formula | C226H167Ir4N23O4 |
| Molecular Weight | 4037.85 g/mol |
| Exact Mass | 4038.21 |
| IUPAC Name | 2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium(3+));2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(9-phenyl-3-[6-(9-phenylpyrido[2,3-b]indol-3-yl)hexyl]pyrido[2,3-b]indole);6-pyridin-2-yl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-c]pyridin-7-ide |
| SMILES | Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccncc32)c1-c1ccccn1.[c-]1ccc2c(oc3cnccc32)c1-c1ccccn1.[c-]1ccccc1-n1c2ccccc2c2cc(CCCCCCc3cnc4c(c3)c3ccccc3n4-c3[c-]cccc3)cnc21.[c-]1ccccc1-n1c2ccccc2c2cc(CCCCCCc3cnc4c(c3)c3ccccc3n4-c3[c-]cccc3)cnc21.[c-]1ccccc1-n1c2ccccc2c2cc(CCCCCCc3cnc4c(c3)c3ccccc3n4-c3[c-]cccc3)cnc21.[c-]1ccccc1-n1c2ccccc2c2cc(CCCCCCc3cnc4c(c3)c3ccccc3n4-c3[c-]cccc3)cnc21 |
| InChI | InChI=1S/4C40H32N4.C17H11N2O.C17H10NO.2C16H9N2O.4Ir/c4*1(5-15-29-25-35-33-21-11-13-23-37(33)43(39(35)41-27-29)31-17-7-3-8-18-31)2-6-16-30-26-36-34-22-12-14-24-38(34)44(40(36)42-28-30)32-19-9-4-10-20-32;1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-8-18-14(6-1)13-5-3-4-12-11-7-9-17-10-15(11)19-16(12)13;1-2-8-18-14(6-1)12-5-3-4-11-13-10-17-9-7-15(13)19-16(11)12;;;;/h4*3-4,7-14,17,19,21-28H,1-2,5-6,15-16H2;2-5,7-10H,1H3;1-7,9-11H;2*1-4,6-10H;;;;/q4*-2;4*-1;4*+3 |
| InChIKey | DBNFRLFXULNMDG-UHFFFAOYSA-N |
| XLogP | 54.74 |
| TPSA | 285.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 257 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4037.85 |
| LogP ≤ 5 | 54.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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