C134H122N8O8 — CID 159891368
2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole (PubChem CID 159891368) has the molecular formula C134H122N8O8 and a molecular weight of 1972.50 g/mol. Its IUPAC name is 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole.
| Compound Name | 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole |
|---|---|
| PubChem CID | 159891368 |
| Molecular Formula | C134H122N8O8 |
| Molecular Weight | 1972.50 g/mol |
| Exact Mass | 1970.94 |
| IUPAC Name | 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole |
| SMILES | C#CCOc1ccc2c(c1)[nH]c1cc(C)ccc12.C#CCOc1ccc2c3ccc(C)cc3n(CC#C)c2c1.C=CCOc1ccc2c(c1)[nH]c1cc(C)ccc12.C=CCOc1ccc2c3ccc(C)cc3n(CC=C)c2c1.CCCOc1ccc2c(c1)[nH]c1cc(C)ccc12.CCOc1ccc2c(c1)[nH]c1cc(C)ccc12.Cc1ccc2c(c1)[nH]c1cc(O)ccc12.Cc1ccc2c(c1)[nH]c1cc(OCc3ccccc3)ccc12 |
| InChI | InChI=1S/C20H17NO.C19H19NO.C19H15NO.C16H17NO.C16H15NO.C16H13NO.C15H15NO.C13H11NO/c1-14-7-9-17-18-10-8-16(12-20(18)21-19(17)11-14)22-13-15-5-3-2-4-6-15;2*1-4-10-20-18-12-14(3)6-8-16(18)17-9-7-15(13-19(17)20)21-11-5-2;3*1-3-8-18-12-5-7-14-13-6-4-11(2)9-15(13)17-16(14)10-12;1-3-17-11-5-7-13-12-6-4-10(2)8-14(12)16-15(13)9-11;1-8-2-4-10-11-5-3-9(15)7-13(11)14-12(10)6-8/h2-12,21H,13H2,1H3;4-9,12-13H,1-2,10-11H2,3H3;1-2,6-9,12-13H,10-11H2,3H3;4-7,9-10,17H,3,8H2,1-2H3;3-7,9-10,17H,1,8H2,2H3;1,4-7,9-10,17H,8H2,2H3;4-9,16H,3H2,1-2H3;2-7,14-15H,1H3 |
| InChIKey | NUUIGOLLZPPCJC-UHFFFAOYSA-N |
| XLogP | 33.43 |
| TPSA | 189.44 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 150 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1972.50 |
| LogP ≤ 5 | 33.43 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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