C210H188B8N8O4Pt4 — CID 158218434
2-[5,10-bis(2,6-dimethylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-[5,10-bis[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-methyl-6-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-5,10-bis(2,4,6-trimethylphenyl)-3H-boranthren-3-id-2-yl]pyridine;tetrakis(platinum(2+)) (PubChem CID 158218434) has the molecular formula C210H188B8N8O4Pt4 and a molecular weight of 3754.67 g/mol. Its IUPAC name is 2-[5,10-bis(2,6-dimethylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-[5,10-bis[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-methyl-6-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-5,10-bis(2,4,6-trimethylphenyl)-3H-boranthren-3-id-2-yl]pyridine;tetrakis(platinum(2+)).
| Compound Name | 2-[5,10-bis(2,6-dimethylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-[5,10-bis[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-methyl-6-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-5,10-bis(2,4,6-trimethylphenyl)-3H-boranthren-3-id-2-yl]pyridine;tetrakis(platinum(2+)) |
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| PubChem CID | 158218434 |
| Molecular Formula | C210H188B8N8O4Pt4 |
| Molecular Weight | 3754.67 g/mol |
| Exact Mass | 3753.41 |
| IUPAC Name | 2-[5,10-bis(2,6-dimethylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-[5,10-bis[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-methyl-6-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-5,10-bis(2,4,6-trimethylphenyl)-3H-boranthren-3-id-2-yl]pyridine;tetrakis(platinum(2+)) |
| SMILES | Cc1cc(C)c(B2c3ccccc3B(c3c(C)cc(C)cc3C)c3c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c(-c4cccc(C)n4)cc32)c(C)c1.Cc1cccc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)c3c(c2)B(c2c(C(C)C)cc(-c4ccccc4)cc2C(C)C)c2ccccc2B3c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)n1.Cc1cccc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)c3c(c2)B(c2c(C(C)C)cccc2C(C)C)c2ccccc2B3c2c(C(C)C)cccc2C(C)C)n1.Cc1cccc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)c3c(c2)B(c2c(C)cccc2C)c2ccccc2B3c2c(C)cccc2C)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C65H60B2N2O.C53H52B2N2O.C47H40B2N2O.C45H36B2N2O.4Pt/c1-41(2)53-35-49(46-23-12-10-13-24-46)36-54(42(3)4)63(53)66-57-29-16-17-30-58(57)67(64-55(43(5)6)37-50(38-56(64)44(7)8)47-25-14-11-15-26-47)65-59(66)39-51(61-32-20-22-45(9)69-61)40-62(65)70-52-28-21-27-48(34-52)60-31-18-19-33-68-60;1-33(2)41-21-16-22-42(34(3)4)51(41)54-45-25-10-11-26-46(45)55(52-43(35(5)6)23-17-24-44(52)36(7)8)53-47(54)31-39(49-28-14-18-37(9)57-49)32-50(53)58-40-20-15-19-38(30-40)48-27-12-13-29-56-48;1-29-22-31(3)45(32(4)23-29)48-39-17-8-9-18-40(39)49(46-33(5)24-30(2)25-34(46)6)47-41(48)27-37(43-20-12-14-35(7)51-43)28-44(47)52-38-16-13-15-36(26-38)42-19-10-11-21-50-42;1-29-14-10-15-30(2)43(29)46-37-21-6-7-22-38(37)47(44-31(3)16-11-17-32(44)4)45-39(46)27-35(41-24-12-18-33(5)49-41)28-42(45)50-36-20-13-19-34(26-36)40-23-8-9-25-48-40;;;;/h10-33,35-39,41-44H,1-9H3;10-29,31,33-36H,1-9H3;8-25,27H,1-7H3;6-25,27H,1-5H3;;;;/q4*-2;4*+2 |
| InChIKey | QCQJBLLSPHJYDR-UHFFFAOYSA-N |
| XLogP | 34.83 |
| TPSA | 140.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 234 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3754.67 |
| LogP ≤ 5 | 34.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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