C212H139N9O3 — CID 159721088
2-[4-[2-[2-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 159721088) has the molecular formula C212H139N9O3 and a molecular weight of 2860.50 g/mol. Its IUPAC name is 2-[4-[2-[2-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole.
| Compound Name | 2-[4-[2-[2-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole |
|---|---|
| PubChem CID | 159721088 |
| Molecular Formula | C212H139N9O3 |
| Molecular Weight | 2860.50 g/mol |
| Exact Mass | 2858.10 |
| IUPAC Name | 2-[4-[2-[2-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole |
| SMILES | c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccc6)c5)ccc3n4-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)c2)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)cc6c6cc(-c7ccc(-c8cccc9ccccc89)cc7)ccc65)cc4)cc3)o2)cc1 |
| InChI | InChI=1S/C76H49N3O.2C68H45N3O/c1-2-16-58(17-3-1)75-77-78-76(80-75)59-38-36-56(37-39-59)67-22-8-10-24-69(67)70-25-11-9-23-68(70)57-40-44-62(45-41-57)79-73-46-42-60(50-28-32-54(33-29-50)65-26-12-18-52-14-4-6-20-63(52)65)48-71(73)72-49-61(43-47-74(72)79)51-30-34-55(35-31-51)66-27-13-19-53-15-5-7-21-64(53)66;1-4-16-46(17-5-1)52-22-14-24-54(42-52)56-36-40-65-63(44-56)64-45-57(55-25-15-23-53(43-55)47-18-6-2-7-19-47)37-41-66(64)71(65)58-38-34-49(35-39-58)60-27-11-13-29-62(60)61-28-12-10-26-59(61)48-30-32-51(33-31-48)68-70-69-67(72-68)50-20-8-3-9-21-50;1-4-14-46(15-5-1)48-24-28-50(29-25-48)56-38-42-65-63(44-56)64-45-57(51-30-26-49(27-31-51)47-16-6-2-7-17-47)39-43-66(64)71(65)58-40-36-53(37-41-58)60-21-11-13-23-62(60)61-22-12-10-20-59(61)52-32-34-55(35-33-52)68-70-69-67(72-68)54-18-8-3-9-19-54/h1-49H;2*1-45H |
| InChIKey | NAAVETXZXMFUAF-UHFFFAOYSA-N |
| XLogP | 56.82 |
| TPSA | 131.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2860.50 |
| LogP ≤ 5 | 56.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |