C292H244F12N16 — CID 157207520
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-diphenylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]carbazole (PubChem CID 157207520) has the molecular formula C292H244F12N16 and a molecular weight of 4205.25 g/mol. Its IUPAC name is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-diphenylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]carbazole.
| Compound Name | 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-diphenylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]carbazole |
|---|---|
| PubChem CID | 157207520 |
| Molecular Formula | C292H244F12N16 |
| Molecular Weight | 4205.25 g/mol |
| Exact Mass | 4201.94 |
| IUPAC Name | 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-diphenylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]carbazole |
| SMILES | CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cn3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3ccc(-c4ccccc4)cn3)c2c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3ccc(-c4ccccn4)cc3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3ccc(-c4ccccn4)cc3)c2c1.FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3ccccc3)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3ccccc3)c2c1 |
| InChI | InChI=1S/C86H76N6.2C76H70N4.C54H28F12N2/c1-83(2,3)59-25-33-77-67(47-59)68-48-60(84(4,5)6)26-34-78(68)91(77)63-29-31-65-71(51-63)81(57-43-53(73-21-13-17-37-87-73)41-54(44-57)74-22-14-18-38-88-74)66-32-30-64(92-79-35-27-61(85(7,8)9)49-69(79)70-50-62(86(10,11)12)28-36-80(70)92)52-72(66)82(65)58-45-55(75-23-15-19-39-89-75)42-56(46-58)76-24-16-20-40-90-76;1-73(2,3)51-27-35-67-59(41-51)60-42-52(74(4,5)6)28-36-68(60)79(67)55-31-33-57-63(45-55)71(49-23-19-47(20-24-49)65-17-13-15-39-77-65)58-34-32-56(46-64(58)72(57)50-25-21-48(22-26-50)66-18-14-16-40-78-66)80-69-37-29-53(75(7,8)9)43-61(69)62-44-54(76(10,11)12)30-38-70(62)80;1-73(2,3)51-25-35-67-59(39-51)60-40-52(74(4,5)6)26-36-68(60)79(67)55-29-31-57-63(43-55)71(65-33-23-49(45-77-65)47-19-15-13-16-20-47)58-32-30-56(44-64(58)72(57)66-34-24-50(46-78-66)48-21-17-14-18-22-48)80-69-37-27-53(75(7,8)9)41-61(69)62-42-54(76(10,11)12)28-38-70(62)80;55-51(56,57)31-11-19-45-39(23-31)40-24-32(52(58,59)60)12-20-46(40)67(45)35-16-18-38-43(27-35)49(29-7-3-1-4-8-29)37-17-15-36(28-44(37)50(38)30-9-5-2-6-10-30)68-47-21-13-33(53(61,62)63)25-41(47)42-26-34(54(64,65)66)14-22-48(42)68/h13-52H,1-12H3;2*13-46H,1-12H3;1-28H |
| InChIKey | ARNFTEWKYZYELW-UHFFFAOYSA-N |
| XLogP | 82.23 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 320 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4205.25 |
| LogP ≤ 5 | 82.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |