C152H134N24O5S2 — CID 160810947
3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;3-[3-(9-ethylcarbazol-3-yl)triazol-4-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-pyridin-3-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole (PubChem CID 160810947) has the molecular formula C152H134N24O5S2 and a molecular weight of 2441.04 g/mol. Its IUPAC name is 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;3-[3-(9-ethylcarbazol-3-yl)triazol-4-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-pyridin-3-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole.
| Compound Name | 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;3-[3-(9-ethylcarbazol-3-yl)triazol-4-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-pyridin-3-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole |
|---|---|
| PubChem CID | 160810947 |
| Molecular Formula | C152H134N24O5S2 |
| Molecular Weight | 2441.04 g/mol |
| Exact Mass | 2439.04 |
| IUPAC Name | 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;3-[3-(9-ethylcarbazol-3-yl)triazol-4-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-pyridin-3-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole |
| SMILES | C=Cc1ccnn1-c1ccc2c(c1)c1ccccc1n2CC.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc(Oc4ccccc4)cc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccccn3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3cccnc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccsc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCOS(C)(=O)=O)ccc21.CCn1c2ccccc2c2cc(-n3nncc3CCCO)ccc21 |
| InChI | InChI=1S/C29H23N3O.2C22H18N4.C21H17N3S.C20H21N3O3S.C19H20N4O.C19H17N3/c1-2-31-28-11-7-6-10-25(28)26-20-22(14-17-29(26)31)32-27(18-19-30-32)21-12-15-24(16-13-21)33-23-8-4-3-5-9-23;1-2-25-20-9-4-3-7-17(20)18-15-16(10-11-21(18)25)26-22(12-14-24-26)19-8-5-6-13-23-19;1-2-25-21-8-4-3-7-18(21)19-14-17(9-10-22(19)25)26-20(11-13-24-26)16-6-5-12-23-15-16;1-2-23-20-6-4-3-5-17(20)18-13-16(7-8-21(18)23)24-19(9-11-22-24)15-10-12-25-14-15;1-3-22-19-7-5-4-6-17(19)18-14-16(8-9-20(18)22)23-15(10-12-21-23)11-13-26-27(2,24)25;1-2-22-18-8-4-3-7-16(18)17-12-14(9-10-19(17)22)23-15(6-5-11-24)13-20-21-23;1-3-14-11-12-20-22(14)15-9-10-19-17(13-15)16-7-5-6-8-18(16)21(19)4-2/h3-20H,2H2,1H3;2*3-15H,2H2,1H3;3-14H,2H2,1H3;4-10,12,14H,3,11,13H2,1-2H3;3-4,7-10,12-13,24H,2,5-6,11H2,1H3;3,5-13H,1,4H2,2H3 |
| InChIKey | SEHPYFMXJKEABA-UHFFFAOYSA-N |
| XLogP | 34.79 |
| TPSA | 270.75 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2441.04 |
| LogP ≤ 5 | 34.79 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'} |
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