C240H176N32O8Pd8 — CID 159279577
2,7-bis[[4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-phenyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (PubChem CID 159279577) has the molecular formula C240H176N32O8Pd8 and a molecular weight of 4487.62 g/mol. Its IUPAC name is 2,7-bis[[4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-phenyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).
| Compound Name | 2,7-bis[[4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-phenyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) |
|---|---|
| PubChem CID | 159279577 |
| Molecular Formula | C240H176N32O8Pd8 |
| Molecular Weight | 4487.62 g/mol |
| Exact Mass | 4480.66 |
| IUPAC Name | 2,7-bis[[4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-phenyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) |
| SMILES | CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(C(C)(C)C)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncncn2)[c-]c2c1c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccc(Oc6[c-]c7c(c(C(C)(C)C)c6)c6ccccc6n7-c6cc(C(C)(C)C)ccn6)[c-]c4n5-c4ncncn4)cc(C(C)(C)C)c3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccc(Oc6[c-]c7c(c(C(C)C)c6)c6ccccc6n7-c6cc(C)ccn6)[c-]c4n5-c4ncncn4)cc(C(C)C)c3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(Oc2[c-]c3c(c(-c4ccccc4)c2)c2ccccc2n3-c2ccccn2)ccc2c3ccc(Oc4[c-]c5c(c(-c6ccccc6)c4)c4ccccc4n5-c4ccccn4)[c-]c3n(-c3ncncn3)c12 |
| InChI | InChI=1S/C65H58N8O2.C61H34N8O2.2C57H42N8O2.8Pd/c1-62(2,3)39-25-27-67-57(29-39)71-51-19-15-13-17-47(51)59-49(64(7,8)9)31-43(35-55(59)71)74-41-21-23-45-46-24-22-42(34-54(46)73(53(45)33-41)61-69-37-66-38-70-61)75-44-32-50(65(10,11)12)60-48-18-14-16-20-52(48)72(56(60)36-44)58-30-40(26-28-68-58)63(4,5)6;1-3-15-39(16-4-1)49-31-43(35-55-59(49)47-19-7-9-21-51(47)67(55)57-23-11-13-29-63-57)70-41-25-27-45-46-28-26-42(34-54(46)69(53(45)33-41)61-65-37-62-38-66-61)71-44-32-50(40-17-5-2-6-18-40)60-48-20-8-10-22-52(48)68(56(60)36-44)58-24-12-14-30-64-58;1-56(2,3)43-27-37(31-49-53(43)41-15-7-9-17-45(41)63(49)51-19-11-13-25-59-51)66-35-21-23-39-40-24-22-36(30-48(40)65(47(39)29-35)55-61-33-58-34-62-55)67-38-28-44(57(4,5)6)54-42-16-8-10-18-46(42)64(50(54)32-38)52-20-12-14-26-60-52;1-33(2)45-25-39(29-51-55(45)43-11-7-9-13-47(43)63(51)53-23-35(5)19-21-59-53)66-37-15-17-41-42-18-16-38(28-50(42)65(49(41)27-37)57-61-31-58-32-62-57)67-40-26-46(34(3)4)56-44-12-8-10-14-48(44)64(52(56)30-40)54-24-36(6)20-22-60-54;;;;;;;;/h13-32,37-38H,1-12H3;1-32,37-38H;7-28,33-34H,1-6H3;7-26,31-34H,1-6H3;;;;;;;;/q4*-4;8*+2 |
| InChIKey | YMHRPUVSTDXRDI-UHFFFAOYSA-N |
| XLogP | 56.92 |
| TPSA | 390.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 288 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4487.62 |
| LogP ≤ 5 | 56.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 40 |