C282H171N13O8S — CID 158315169
11-dibenzothiophen-3-yl-[1]benzofuro[3,2-b]carbazole;11-(9-naphthalen-1-ylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-naphthalen-2-ylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-b]carbazole;11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 158315169) has the molecular formula C282H171N13O8S and a molecular weight of 3901.62 g/mol. Its IUPAC name is 11-dibenzothiophen-3-yl-[1]benzofuro[3,2-b]carbazole;11-(9-naphthalen-1-ylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-naphthalen-2-ylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-b]carbazole;11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole.
| Compound Name | 11-dibenzothiophen-3-yl-[1]benzofuro[3,2-b]carbazole;11-(9-naphthalen-1-ylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-naphthalen-2-ylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-b]carbazole;11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole |
|---|---|
| PubChem CID | 158315169 |
| Molecular Formula | C282H171N13O8S |
| Molecular Weight | 3901.62 g/mol |
| Exact Mass | 3898.31 |
| IUPAC Name | 11-dibenzothiophen-3-yl-[1]benzofuro[3,2-b]carbazole;11-(9-naphthalen-1-ylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-naphthalen-2-ylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-b]carbazole;11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)cc2)cc1.c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c32)cc1.c1ccc2c(-n3c4ccccc4c4c(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cccc43)cccc2c1.c1ccc2c(c1)oc1cc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3cc12.c1ccc2cc(-n3c4ccccc4c4c(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cccc43)ccc2c1 |
| InChI | InChI=1S/2C40H24N2O.3C36H22N2O.C34H21NO.C30H17NOS.C30H19NO/c1-2-13-26-25(11-1)12-9-19-32(26)41-34-18-7-4-16-29(34)40-35(41)20-10-21-36(40)42-33-17-6-3-14-27(33)30-24-39-31(23-37(30)42)28-15-5-8-22-38(28)43-39;1-2-11-26-22-27(21-20-25(26)10-1)41-34-16-7-4-14-30(34)40-35(41)17-9-18-36(40)42-33-15-6-3-12-28(33)31-24-39-32(23-37(31)42)29-13-5-8-19-38(29)43-39;1-2-11-23(12-3-1)37-30-17-8-5-15-26(30)36-31(37)18-10-19-32(36)38-29-16-7-4-13-24(29)27-22-35-28(21-33(27)38)25-14-6-9-20-34(25)39-35;1-2-11-23(12-3-1)37-30-17-7-4-13-24(30)27-16-10-19-32(36(27)37)38-31-18-8-5-14-25(31)28-22-35-29(21-33(28)38)26-15-6-9-20-34(26)39-35;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-20-24(18-19-33(28)37)38-32-16-8-5-13-26(32)29-22-36-30(21-34(29)38)27-14-6-9-17-35(27)39-36;1-2-10-22(11-3-1)23-18-19-31(25-13-5-4-12-24(23)25)35-30-16-8-6-14-26(30)28-21-34-29(20-32(28)35)27-15-7-9-17-33(27)36-34;1-4-10-25-19(7-1)23-17-28-24(20-8-2-5-11-27(20)32-28)16-26(23)31(25)18-13-14-22-21-9-3-6-12-29(21)33-30(22)15-18;1-2-8-20(9-3-1)21-14-16-22(17-15-21)31-27-12-6-4-10-23(27)25-19-30-26(18-28(25)31)24-11-5-7-13-29(24)32-30/h2*1-24H;3*1-22H;1-21H;1-17H;1-19H |
| InChIKey | GOEGRFXMBVPIME-UHFFFAOYSA-N |
| XLogP | 78.11 |
| TPSA | 169.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 304 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3901.62 |
| LogP ≤ 5 | 78.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |