C178H143N15O12Pd3Pt3 — CID 157472352
2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(5-phenyl-4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));tris(platinum(2+)) (PubChem CID 157472352) has the molecular formula C178H143N15O12Pd3Pt3 and a molecular weight of 3588.69 g/mol. Its IUPAC name is 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(5-phenyl-4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));tris(platinum(2+)).
| Compound Name | 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(5-phenyl-4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));tris(platinum(2+)) |
|---|---|
| PubChem CID | 157472352 |
| Molecular Formula | C178H143N15O12Pd3Pt3 |
| Molecular Weight | 3588.69 g/mol |
| Exact Mass | 3584.71 |
| IUPAC Name | 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(5-phenyl-4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));tris(platinum(2+)) |
| SMILES | CC(C)c1cc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6cc(C(C)C)c(-c7ccccc7)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)ncc1-c1ccccc1.CC(C)c1cccc(C(C)C)c1-c1ccc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6ccc(-c7c(C(C)C)cccc7C(C)C)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)nc1.Cc1cc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6cc(C)c(-c7ccc(CC(C)C)cc7)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)ncc1-c1ccc(CC(C)C)cc1.[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C62H53N5O4.C60H49N5O4.C56H41N5O4.3Pd.3Pt/c1-38(2)50-18-11-19-51(39(3)4)60(50)42-22-28-58(65-36-42)70-46-16-9-14-44(32-46)68-48-24-26-54-55-27-25-49(35-57(55)67(56(54)34-48)62-63-30-13-31-64-62)69-45-15-10-17-47(33-45)71-59-29-23-43(37-66-59)61-52(40(5)6)20-12-21-53(61)41(7)8;1-38(2)28-42-14-18-44(19-15-42)54-36-63-58(30-40(54)5)68-48-12-7-10-46(32-48)66-50-22-24-52-53-25-23-51(35-57(53)65(56(52)34-50)60-61-26-9-27-62-60)67-47-11-8-13-49(33-47)69-59-31-41(6)55(37-64-59)45-20-16-43(17-21-45)29-39(3)4;1-36(2)48-32-54(59-34-50(48)38-14-7-5-8-15-38)64-42-20-11-18-40(28-42)62-44-22-24-46-47-25-23-45(31-53(47)61(52(46)30-44)56-57-26-13-27-58-56)63-41-19-12-21-43(29-41)65-55-33-49(37(3)4)51(35-60-55)39-16-9-6-10-17-39;;;;;;/h9-31,36-41H,1-8H3;7-27,30-31,36-39H,28-29H2,1-6H3;5-27,32-37H,1-4H3;;;;;;/q3*-4;6*+2 |
| InChIKey | NYOYDPPRYHFKJH-UHFFFAOYSA-N |
| XLogP | 45.94 |
| TPSA | 280.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 211 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3588.69 |
| LogP ≤ 5 | 45.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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