C316H201N29 — CID 159400771
9-[3,5-di(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenyl-2-pyridinyl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-2-pyridinyl]carbazole (PubChem CID 159400771) has the molecular formula C316H201N29 and a molecular weight of 4404.29 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenyl-2-pyridinyl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-2-pyridinyl]carbazole.
| Compound Name | 9-[3,5-di(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenyl-2-pyridinyl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-2-pyridinyl]carbazole |
|---|---|
| PubChem CID | 159400771 |
| Molecular Formula | C316H201N29 |
| Molecular Weight | 4404.29 g/mol |
| Exact Mass | 4400.66 |
| IUPAC Name | 9-[3,5-di(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenyl-2-pyridinyl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-2-pyridinyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/2C64H41N5.2C63H40N6.C62H39N7/c1-4-22-42(23-5-1)52-40-45(41-53(65-52)43-24-6-2-7-25-43)60-62(67-54-34-16-10-28-46(54)47-29-11-17-35-55(47)67)61(44-26-8-3-9-27-44)66-64(69-58-38-20-14-32-50(58)51-33-15-21-39-59(51)69)63(60)68-56-36-18-12-30-48(56)49-31-13-19-37-57(49)68;1-4-22-42(23-5-1)45-40-52(43-24-6-2-7-25-43)65-53(41-45)60-62(67-54-34-16-10-28-46(54)47-29-11-17-35-55(47)67)61(44-26-8-3-9-27-44)66-64(69-58-38-20-14-32-50(58)51-33-15-21-39-59(51)69)63(60)68-56-36-18-12-30-48(56)49-31-13-19-37-57(49)68;1-4-22-41(23-5-1)50-40-51(65-62(64-50)43-26-8-3-9-27-43)58-60(67-52-34-16-10-28-44(52)45-29-11-17-35-53(45)67)59(42-24-6-2-7-25-42)66-63(69-56-38-20-14-32-48(56)49-33-15-21-39-57(49)69)61(58)68-54-36-18-12-30-46(54)47-31-13-19-37-55(47)68;1-4-22-41(23-5-1)50-40-51(42-24-6-2-7-25-42)65-62(64-50)58-60(67-52-34-16-10-28-44(52)45-29-11-17-35-53(45)67)59(43-26-8-3-9-27-43)66-63(69-56-38-20-14-32-48(56)49-33-15-21-39-57(49)69)61(58)68-54-36-18-12-30-46(54)47-31-13-19-37-55(47)68;1-4-22-40(23-5-1)56-57(67-49-34-16-10-28-43(49)44-29-11-17-35-50(44)67)55(61-65-59(41-24-6-2-7-25-41)64-60(66-61)42-26-8-3-9-27-42)58(68-51-36-18-12-30-45(51)46-31-13-19-37-52(46)68)62(63-56)69-53-38-20-14-32-47(53)48-33-15-21-39-54(48)69/h2*1-41H;2*1-40H;1-39H |
| InChIKey | LNHSQWVOPREGRY-UHFFFAOYSA-N |
| XLogP | 79.76 |
| TPSA | 254.41 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 345 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4404.29 |
| LogP ≤ 5 | 79.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |