C310H194F4N24O — CID 157492933
2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(6-tert-butylnaphthalen-2-yl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2-fluorophenyl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-[4-[4-(trifluoromethyl)phenyl]phenyl]benzo[h]quinazoline (PubChem CID 157492933) has the molecular formula C310H194F4N24O and a molecular weight of 4347.12 g/mol. Its IUPAC name is 2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(6-tert-butylnaphthalen-2-yl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2-fluorophenyl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-[4-[4-(trifluoromethyl)phenyl]phenyl]benzo[h]quinazoline.
| Compound Name | 2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(6-tert-butylnaphthalen-2-yl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2-fluorophenyl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-[4-[4-(trifluoromethyl)phenyl]phenyl]benzo[h]quinazoline |
|---|---|
| PubChem CID | 157492933 |
| Molecular Formula | C310H194F4N24O |
| Molecular Weight | 4347.12 g/mol |
| Exact Mass | 4343.58 |
| IUPAC Name | 2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(6-tert-butylnaphthalen-2-yl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2-fluorophenyl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-[4-[4-(trifluoromethyl)phenyl]phenyl]benzo[h]quinazoline |
| SMILES | CC(C)(C)c1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c4)nc4c3ccc3ccccc34)ccc2c1.COc1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c4)c4ccc5ccccc5c4n3)c2)cc1.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c4)nc4c3ccc3ccccc34)cc2)cc1.Fc1ccccc1-c1nc(-c2cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)c2ccc3ccccc3c2n1 |
| InChI | InChI=1S/C80H54N6.C79H47F3N6.C79H50N6O.C72H43FN6/c1-80(2,3)54-36-34-50-42-52(33-32-51(50)43-54)77-68-39-35-49-18-4-5-19-59(49)78(68)82-79(81-77)53-44-57(85-73-30-16-10-24-64(73)66-40-37-55(47-75(66)85)83-69-26-12-6-20-60(69)61-21-7-13-27-70(61)83)46-58(45-53)86-74-31-17-11-25-65(74)67-41-38-56(48-76(67)86)84-71-28-14-8-22-62(71)63-23-9-15-29-72(63)84;80-79(81,82)53-36-33-49(34-37-53)48-29-31-51(32-30-48)76-67-40-35-50-15-1-2-16-58(50)77(67)84-78(83-76)52-43-56(87-72-27-13-7-21-63(72)65-41-38-54(46-74(65)87)85-68-23-9-3-17-59(68)60-18-4-10-24-69(60)85)45-57(44-52)88-73-28-14-8-22-64(73)66-42-39-55(47-75(66)88)86-70-25-11-5-19-61(70)62-20-6-12-26-71(62)86;1-86-58-38-33-49(34-39-58)51-18-16-19-52(43-51)79-80-77(68-40-35-50-17-2-3-20-59(50)78(68)81-79)53-44-56(84-73-31-14-8-25-64(73)66-41-36-54(47-75(66)84)82-69-27-10-4-21-60(69)61-22-5-11-28-70(61)82)46-57(45-53)85-74-32-15-9-26-65(74)67-42-37-55(48-76(67)85)83-71-29-12-6-23-62(71)63-24-7-13-30-72(63)83;73-61-26-10-3-25-59(61)72-74-70(60-36-33-44-17-1-2-18-50(44)71(60)75-72)45-39-48(78-66-31-15-8-23-55(66)57-37-34-46(42-68(57)78)76-62-27-11-4-19-51(62)52-20-5-12-28-63(52)76)41-49(40-45)79-67-32-16-9-24-56(67)58-38-35-47(43-69(58)79)77-64-29-13-6-21-53(64)54-22-7-14-30-65(54)77/h4-48H,1-3H3;1-47H;2-48H,1H3;1-43H |
| InChIKey | BXMMLEGLAACAIV-UHFFFAOYSA-N |
| XLogP | 80.97 |
| TPSA | 191.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 339 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4347.12 |
| LogP ≤ 5 | 80.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |