C196H123F11N14O8 — CID 160544864
3,6-di(carbazol-9-yl)-9-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2,3,5,6-tetrafluorophenyl]carbazole;9-[4-(3,6-dimethoxycarbazol-9-yl)-2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole;10-(4-phenoxazin-10-yl-2,5-dipyridin-2-ylphenyl)phenoxazine;10-(2,3,5,6-tetrafluoro-4-phenoxazin-10-ylphenyl)phenoxazine (PubChem CID 160544864) has the molecular formula C196H123F11N14O8 and a molecular weight of 3011.21 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2,3,5,6-tetrafluorophenyl]carbazole;9-[4-(3,6-dimethoxycarbazol-9-yl)-2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole;10-(4-phenoxazin-10-yl-2,5-dipyridin-2-ylphenyl)phenoxazine;10-(2,3,5,6-tetrafluoro-4-phenoxazin-10-ylphenyl)phenoxazine.
| Compound Name | 3,6-di(carbazol-9-yl)-9-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2,3,5,6-tetrafluorophenyl]carbazole;9-[4-(3,6-dimethoxycarbazol-9-yl)-2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole;10-(4-phenoxazin-10-yl-2,5-dipyridin-2-ylphenyl)phenoxazine;10-(2,3,5,6-tetrafluoro-4-phenoxazin-10-ylphenyl)phenoxazine |
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| PubChem CID | 160544864 |
| Molecular Formula | C196H123F11N14O8 |
| Molecular Weight | 3011.21 g/mol |
| Exact Mass | 3008.95 |
| IUPAC Name | 3,6-di(carbazol-9-yl)-9-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2,3,5,6-tetrafluorophenyl]carbazole;9-[4-(3,6-dimethoxycarbazol-9-yl)-2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole;10-(4-phenoxazin-10-yl-2,5-dipyridin-2-ylphenyl)phenoxazine;10-(2,3,5,6-tetrafluoro-4-phenoxazin-10-ylphenyl)phenoxazine |
| SMILES | COc1ccc2c(c1)c1cc(OC)ccc1n2-c1cc(-c2ccc(C(F)(F)F)cc2)c(-n2c3ccc(OC)cc3c3cc(OC)ccc32)cc1-c1ccc(C)cc1.Fc1c(F)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(F)c(F)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Fc1c(F)c(N2c3ccccc3Oc3ccccc32)c(F)c(F)c1N1c2ccccc2Oc2ccccc21.c1ccc(-c2cc(N3c4ccccc4Oc4ccccc43)c(-c3ccccn3)cc2N2c3ccccc3Oc3ccccc32)nc1 |
| InChI | InChI=1S/C78H44F4N6.C48H37F3N2O4.C40H26N4O2.C30H16F4N2O2/c79-73-75(81)78(88-71-39-35-47(85-65-29-13-5-21-53(65)54-22-6-14-30-66(54)85)43-59(71)60-44-48(36-40-72(60)88)86-67-31-15-7-23-55(67)56-24-8-16-32-68(56)86)76(82)74(80)77(73)87-69-37-33-45(83-61-25-9-1-17-49(61)50-18-2-10-26-62(50)83)41-57(69)58-42-46(34-38-70(58)87)84-63-27-11-3-19-51(63)52-20-4-12-28-64(52)84;1-28-6-8-29(9-7-28)36-26-47(53-44-20-16-34(56-4)24-40(44)41-25-35(57-5)17-21-45(41)53)37(30-10-12-31(13-11-30)48(49,50)51)27-46(36)52-42-18-14-32(54-2)22-38(42)39-23-33(55-3)15-19-43(39)52;1-5-19-37-31(15-1)43(32-16-2-6-20-38(32)45-37)35-25-28(30-14-10-12-24-42-30)36(26-27(35)29-13-9-11-23-41-29)44-33-17-3-7-21-39(33)46-40-22-8-4-18-34(40)44;31-25-27(33)30(36-19-11-3-7-15-23(19)38-24-16-8-4-12-20(24)36)28(34)26(32)29(25)35-17-9-1-5-13-21(17)37-22-14-6-2-10-18(22)35/h1-44H;6-27H,1-5H3;1-26H;1-16H |
| InChIKey | QXHCPXLGXMGZEI-UHFFFAOYSA-N |
| XLogP | 53.76 |
| TPSA | 152.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 229 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3011.21 |
| LogP ≤ 5 | 53.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'} |
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