C198H131N15OS2 — CID 161460150
12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-4-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;5-(4-ethylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole;5-phenyl-12-[6-(4-propan-2-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole (PubChem CID 161460150) has the molecular formula C198H131N15OS2 and a molecular weight of 2800.46 g/mol. Its IUPAC name is 12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-4-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;5-(4-ethylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole;5-phenyl-12-[6-(4-propan-2-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole.
| Compound Name | 12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-4-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;5-(4-ethylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole;5-phenyl-12-[6-(4-propan-2-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 161460150 |
| Molecular Formula | C198H131N15OS2 |
| Molecular Weight | 2800.46 g/mol |
| Exact Mass | 2798.01 |
| IUPAC Name | 12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-4-yl-2-pyridinyl)-5-phenylindolo[3,2-c]carbazole;5-(4-ethylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole;5-phenyl-12-[6-(4-propan-2-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole |
| SMILES | CC(C)c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.CCc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5ccccc5)n4)c23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5ccc6oc7ccccc7c6c5)n4)c23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5ccc6sc7ccccc7c6c5)n4)c23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc6c5sc5ccccc56)n4)c23)cc1 |
| InChI | InChI=1S/C41H25N3O.2C41H25N3S.C38H29N3.C37H27N3/c1-2-11-27(12-3-1)43-35-18-8-5-15-31(35)40-36(43)23-22-30-28-13-4-7-17-34(28)44(41(30)40)39-20-10-16-33(42-39)26-21-24-38-32(25-26)29-14-6-9-19-37(29)45-38;1-2-12-26(13-3-1)43-35-21-8-5-16-32(35)39-36(43)25-24-29-27-14-4-7-20-34(27)44(40(29)39)38-23-11-19-33(42-38)31-18-10-17-30-28-15-6-9-22-37(28)45-41(30)31;1-2-11-27(12-3-1)43-35-18-8-5-15-31(35)40-36(43)23-22-30-28-13-4-7-17-34(28)44(41(30)40)39-20-10-16-33(42-39)26-21-24-38-32(25-26)29-14-6-9-19-37(29)45-38;1-25(2)26-19-21-27(22-20-26)32-15-10-18-36(39-32)41-33-16-8-6-13-29(33)30-23-24-35-37(38(30)41)31-14-7-9-17-34(31)40(35)28-11-4-3-5-12-28;1-2-25-19-21-27(22-20-25)39-33-17-9-7-14-30(33)36-34(39)24-23-29-28-13-6-8-16-32(28)40(37(29)36)35-18-10-15-31(38-35)26-11-4-3-5-12-26/h3*1-25H;3-25H,1-2H3;3-24H,2H2,1H3 |
| InChIKey | WBRPEIHLAMOZQY-UHFFFAOYSA-N |
| XLogP | 53.03 |
| TPSA | 126.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 216 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2800.46 |
| LogP ≤ 5 | 53.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |