C182H112N8O4 — CID 161318809
2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-2-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 161318809) has the molecular formula C182H112N8O4 and a molecular weight of 2474.95 g/mol. Its IUPAC name is 2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-2-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.
| Compound Name | 2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-2-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole |
|---|---|
| PubChem CID | 161318809 |
| Molecular Formula | C182H112N8O4 |
| Molecular Weight | 2474.95 g/mol |
| Exact Mass | 2472.88 |
| IUPAC Name | 2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-2-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)oc5ccccc56)cc43)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc2c(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)oc5ccccc56)cc43)cccc2c1.c1ccc2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)oc5ccccc56)cc43)ccc2c1 |
| InChI | InChI=1S/C48H30N2O.2C46H28N2O.C42H26N2O/c1-2-10-31(11-3-1)32-18-22-35(23-19-32)49-43-15-7-4-12-37(43)39-25-20-34(29-46(39)49)33-21-27-45-42(28-33)38-13-5-8-16-44(38)50(45)36-24-26-41-40-14-6-9-17-47(40)51-48(41)30-36;1-2-12-33-29(10-1)11-9-18-40(33)48-42-17-7-3-13-34(42)36-23-20-31(27-44(36)48)30-21-25-43-39(26-30)35-14-4-6-16-41(35)47(43)32-22-24-38-37-15-5-8-19-45(37)49-46(38)28-32;1-2-10-30-25-33(20-17-29(30)9-1)48-41-14-6-3-11-35(41)37-22-18-32(27-44(37)48)31-19-24-43-40(26-31)36-12-4-7-15-42(36)47(43)34-21-23-39-38-13-5-8-16-45(38)49-46(39)28-34;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)33-21-18-28(25-40(33)43)27-19-23-39-36(24-27)32-13-5-8-16-38(32)44(39)30-20-22-35-34-14-6-9-17-41(34)45-42(35)26-30/h1-30H;2*1-28H;1-26H |
| InChIKey | VJWBLUUOFVDFSL-UHFFFAOYSA-N |
| XLogP | 49.76 |
| TPSA | 92.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 194 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2474.95 |
| LogP ≤ 5 | 49.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |