C250H152N24O3 — CID 157169559
2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole (PubChem CID 157169559) has the molecular formula C250H152N24O3 and a molecular weight of 3540.13 g/mol. Its IUPAC name is 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole.
| Compound Name | 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole |
|---|---|
| PubChem CID | 157169559 |
| Molecular Formula | C250H152N24O3 |
| Molecular Weight | 3540.13 g/mol |
| Exact Mass | 3537.25 |
| IUPAC Name | 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc(-c7nnc(-c8ccc9c%10ccccc%10n(-c%10ccc(-c%11nc(-c%12ccc(-c%13ccccc%13)cc%12)c%12ccccc%12n%11)cc%10)c9c8)o7)cc65)cc4)nc4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc(-c8nnc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-c%12nc(-c%13ccc(-c%14cccc%15ccccc%14%15)cc%13)c%13ccccc%13n%12)cc%11)c%10c9)o8)cc76)cc5)nc5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc(-c8nnc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-c%12nc(-c%13ccc(-c%14ccc%15ccccc%15c%14)cc%13)c%13ccccc%13n%12)cc%11)c%10c9)o8)cc76)cc5)nc5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/2C86H52N8O.C78H48N8O/c1-3-19-65-53(15-1)17-13-25-67(65)55-31-35-57(36-32-55)81-73-23-5-9-27-75(73)87-83(89-81)59-39-45-63(46-40-59)93-77-29-11-7-21-69(77)71-49-43-61(51-79(71)93)85-91-92-86(95-85)62-44-50-72-70-22-8-12-30-78(70)94(80(72)52-62)64-47-41-60(42-48-64)84-88-76-28-10-6-24-74(76)82(90-84)58-37-33-56(34-38-58)68-26-14-18-54-16-2-4-20-66(54)68;1-3-15-61-49-63(35-29-53(61)13-1)55-25-31-57(32-26-55)81-73-19-5-9-21-75(73)87-83(89-81)59-37-43-67(44-38-59)93-77-23-11-7-17-69(77)71-47-41-65(51-79(71)93)85-91-92-86(95-85)66-42-48-72-70-18-8-12-24-78(70)94(80(72)52-66)68-45-39-60(40-46-68)84-88-76-22-10-6-20-74(76)82(90-84)58-33-27-56(28-34-58)64-36-30-54-14-2-4-16-62(54)50-64;1-3-15-49(16-4-1)51-27-31-53(32-28-51)73-65-21-7-11-23-67(65)79-75(81-73)55-35-41-59(42-36-55)85-69-25-13-9-19-61(69)63-45-39-57(47-71(63)85)77-83-84-78(87-77)58-40-46-64-62-20-10-14-26-70(62)86(72(64)48-58)60-43-37-56(38-44-60)76-80-68-24-12-8-22-66(68)74(82-76)54-33-29-52(30-34-54)50-17-5-2-6-18-50/h2*1-52H;1-48H |
| InChIKey | ANHNIISOUNBCOI-UHFFFAOYSA-N |
| XLogP | 63.07 |
| TPSA | 301.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 277 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3540.13 |
| LogP ≤ 5 | 63.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |