C229H141N7O7 — CID 161108968
3-dibenzofuran-2-yl-6-[3-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-2-yl-9-phenylcarbazole;3,6-di(dibenzofuran-2-yl)-9-phenylcarbazole;3-[8-(9H-fluoren-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole (PubChem CID 161108968) has the molecular formula C229H141N7O7 and a molecular weight of 3102.69 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-6-[3-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-2-yl-9-phenylcarbazole;3,6-di(dibenzofuran-2-yl)-9-phenylcarbazole;3-[8-(9H-fluoren-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole.
| Compound Name | 3-dibenzofuran-2-yl-6-[3-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-2-yl-9-phenylcarbazole;3,6-di(dibenzofuran-2-yl)-9-phenylcarbazole;3-[8-(9H-fluoren-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole |
|---|---|
| PubChem CID | 161108968 |
| Molecular Formula | C229H141N7O7 |
| Molecular Weight | 3102.69 g/mol |
| Exact Mass | 3100.09 |
| IUPAC Name | 3-dibenzofuran-2-yl-6-[3-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-2-yl-9-phenylcarbazole;3,6-di(dibenzofuran-2-yl)-9-phenylcarbazole;3-[8-(9H-fluoren-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole |
| SMILES | c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccc(-c4cccc(-c5ccc6c(c5)c5cc(-c7ccc8oc9ccccc9c8c7)ccc5n6-c5ccccc5)c4)cc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(C7c8ccccc8-c8ccccc87)cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc1 |
| InChI | InChI=1S/C66H40N2O2.C48H30N2O.C43H27NO.C42H25NO2.C30H19NO/c1-3-14-49(15-4-1)67-59-28-22-43(35-53(59)55-37-45(24-30-61(55)67)47-26-32-65-57(39-47)51-18-7-9-20-63(51)69-65)41-12-11-13-42(34-41)44-23-29-60-54(36-44)56-38-46(25-31-62(56)68(60)50-16-5-2-6-17-50)48-27-33-66-58(40-48)52-19-8-10-21-64(52)70-66;1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)39-27-31(19-23-45(39)49)33-21-25-47-41(29-33)42-30-34(22-26-48(42)51-47)32-20-24-46-40(28-32)38-16-8-10-18-44(38)50(46)36-13-5-2-6-14-36;1-2-10-30(11-3-1)44-39-17-9-8-14-33(39)36-24-27(18-21-40(36)44)28-19-22-41-37(25-28)38-26-29(20-23-42(38)45-41)43-34-15-6-4-12-31(34)32-13-5-7-16-35(32)43;1-2-8-30(9-3-1)43-37-18-14-26(28-16-20-41-35(24-28)31-10-4-6-12-39(31)44-41)22-33(37)34-23-27(15-19-38(34)43)29-17-21-42-36(25-29)32-11-5-7-13-40(32)45-42;1-2-8-22(9-3-1)31-27-12-6-4-10-23(27)25-18-20(14-16-28(25)31)21-15-17-30-26(19-21)24-11-5-7-13-29(24)32-30/h1-40H;1-30H;1-26,43H;1-25H;1-19H |
| InChIKey | UJLDHGFFVFAMNS-UHFFFAOYSA-N |
| XLogP | 63.24 |
| TPSA | 126.49 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 243 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3102.69 |
| LogP ≤ 5 | 63.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |