C206H130N22O4 — CID 158617740
2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole (PubChem CID 158617740) has the molecular formula C206H130N22O4 and a molecular weight of 2977.46 g/mol. Its IUPAC name is 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole.
| Compound Name | 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole |
|---|---|
| PubChem CID | 158617740 |
| Molecular Formula | C206H130N22O4 |
| Molecular Weight | 2977.46 g/mol |
| Exact Mass | 2975.06 |
| IUPAC Name | 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c67)o5)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c67)o5)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c67)o5)cccc43)n2)cc1.c1cncc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)o5)cccc43)n2)c1 |
| InChI | InChI=1S/C62H40N4O.C50H32N4O.C48H30N6O.C46H28N8O/c1-5-19-41(20-6-1)45-35-46(42-21-7-2-8-22-42)38-49(37-45)65-57-33-16-14-28-53(57)59-54(30-18-34-58(59)65)61-63-64-62(67-61)55-31-17-29-52-51-27-13-15-32-56(51)66(60(52)55)50-39-47(43-23-9-3-10-24-43)36-48(40-50)44-25-11-4-12-26-44;1-3-15-33(16-4-1)35-19-11-21-37(31-35)53-45-29-10-8-24-41(45)47-42(26-14-30-46(47)53)49-51-52-50(55-49)43-27-13-25-40-39-23-7-9-28-44(39)54(48(40)43)38-22-12-20-36(32-38)34-17-5-2-6-18-34;1-3-15-31(16-4-1)38-24-13-29-43(49-38)53-41-27-10-8-20-35(41)45-36(22-12-28-42(45)53)47-51-52-48(55-47)37-23-11-21-34-33-19-7-9-26-40(33)54(46(34)37)44-30-14-25-39(50-44)32-17-5-2-6-18-32;1-3-20-38-31(13-1)32-15-5-17-35(44(32)54(38)42-24-8-19-37(50-42)30-12-10-26-48-28-30)46-52-51-45(55-46)34-16-6-22-40-43(34)33-14-2-4-21-39(33)53(40)41-23-7-18-36(49-41)29-11-9-25-47-27-29/h1-40H;1-32H;1-30H;1-28H |
| InChIKey | HXPGNCPRIMOHKP-UHFFFAOYSA-N |
| XLogP | 51.43 |
| TPSA | 272.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 232 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2977.46 |
| LogP ≤ 5 | 51.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |