C214H132N32O4 — CID 158043222
2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole (PubChem CID 158043222) has the molecular formula C214H132N32O4 and a molecular weight of 3215.63 g/mol. Its IUPAC name is 2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole.
| Compound Name | 2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole |
|---|---|
| PubChem CID | 158043222 |
| Molecular Formula | C214H132N32O4 |
| Molecular Weight | 3215.63 g/mol |
| Exact Mass | 3213.11 |
| IUPAC Name | 2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)o5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c9ccccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8c7)o6)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6)o5)cc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-c5ccc6c7ccccc7n(-c7cccc(-c8cccnc8)n7)c6c5)o4)cc32)cc1 |
| InChI | InChI=1S/C68H42N10O.C56H34N10O.C48H30N6O.C42H26N6O/c1-5-19-43(20-6-1)61-69-62(44-21-7-2-8-22-44)72-65(71-61)47-27-17-29-51(39-47)77-57-33-15-13-31-53(57)55-37-35-49(41-59(55)77)67-75-76-68(79-67)50-36-38-56-54-32-14-16-34-58(54)78(60(56)42-50)52-30-18-28-48(40-52)66-73-63(45-23-9-3-10-24-45)70-64(74-66)46-25-11-4-12-26-46;1-5-17-35(18-6-1)49-57-50(36-19-7-2-8-20-36)60-55(59-49)65-45-27-15-13-25-41(45)43-31-29-39(33-47(43)65)53-63-64-54(67-53)40-30-32-44-42-26-14-16-28-46(42)66(48(44)34-40)56-61-51(37-21-9-3-10-22-37)58-52(62-56)38-23-11-4-12-24-38;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)50-48(49-40)54-43-23-13-11-21-37(43)39-27-25-34(29-45(39)54)47-52-51-46(55-47)33-24-26-38-36-20-10-12-22-42(36)53(44(38)28-33)35-18-8-3-9-19-35;1-2-11-30(12-3-1)47-36-16-6-4-13-31(36)33-21-19-27(24-38(33)47)41-45-46-42(49-41)28-20-22-34-32-14-5-7-17-37(32)48(39(34)25-28)40-18-8-15-35(44-40)29-10-9-23-43-26-29/h1-42H;1-34H;1-30H;1-26H |
| InChIKey | FIPIRMPMFMZXDM-UHFFFAOYSA-N |
| XLogP | 50.38 |
| TPSA | 401.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 250 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3215.63 |
| LogP ≤ 5 | 50.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |