C204H128N24O8Pd8 — CID 157257979
2,7-bis[[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[5-(2,6-dimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (PubChem CID 157257979) has the molecular formula C204H128N24O8Pd8 and a molecular weight of 3894.79 g/mol. Its IUPAC name is 2,7-bis[[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[5-(2,6-dimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).
| Compound Name | 2,7-bis[[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[5-(2,6-dimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) |
|---|---|
| PubChem CID | 157257979 |
| Molecular Formula | C204H128N24O8Pd8 |
| Molecular Weight | 3894.79 g/mol |
| Exact Mass | 3888.26 |
| IUPAC Name | 2,7-bis[[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[5-(2,6-dimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) |
| SMILES | Cc1cccc(C)c1-c1ccc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(-c6ccc(-c7c(C)cccc7C)cn6)ccc5)[c-]c3n4-c3ncncn3)ccc2)nc1.Cc1cccc(C)c1-c1ccnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(-c6cc(-c7c(C)cccc7C)ccn6)ccc5)[c-]c3n4-c3ncncn3)ccc2)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccc(-c6ccccc6)cn5)ccc4)[c-]c2n3-c2ncncn2)cccc1-c1ccc(-c2ccccc2)cn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5cccc(-c6ccccc6)n5)ccc4)[c-]c2n3-c2ncncn2)cccc1-c1cccc(-c2ccccc2)n1 |
| InChI | InChI=1S/2C53H36N6O2.2C49H28N6O2.8Pd/c1-33-9-5-10-34(2)51(33)39-17-23-47(55-29-39)37-13-7-15-41(25-37)60-43-19-21-45-46-22-20-44(28-50(46)59(49(45)27-43)53-57-31-54-32-58-53)61-42-16-8-14-38(26-42)48-24-18-40(30-56-48)52-35(3)11-6-12-36(52)4;1-33-9-5-10-34(2)51(33)39-21-23-55-47(27-39)37-13-7-15-41(25-37)60-43-17-19-45-46-20-18-44(30-50(46)59(49(45)29-43)53-57-31-54-32-58-53)61-42-16-8-14-38(26-42)48-28-40(22-24-56-48)52-35(3)11-6-12-36(52)4;1-3-11-33(12-4-1)43-19-9-21-45(53-43)35-15-7-17-37(27-35)56-39-23-25-41-42-26-24-40(30-48(42)55(47(41)29-39)49-51-31-50-32-52-49)57-38-18-8-16-36(28-38)46-22-10-20-44(54-46)34-13-5-2-6-14-34;1-3-9-33(10-4-1)37-17-23-45(51-29-37)35-13-7-15-39(25-35)56-41-19-21-43-44-22-20-42(28-48(44)55(47(43)27-41)49-53-31-50-32-54-49)57-40-16-8-14-36(26-40)46-24-18-38(30-52-46)34-11-5-2-6-12-34;;;;;;;;/h5-24,29-32H,1-4H3;5-24,27-28,31-32H,1-4H3;1-26,31-32H;1-24,29-32H;;;;;;;;/q4*-4;8*+2 |
| InChIKey | BDVJHCFBRNPRAF-UHFFFAOYSA-N |
| XLogP | 47.30 |
| TPSA | 351.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 244 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3894.79 |
| LogP ≤ 5 | 47.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|