C163H191Cl3FN9O3 — CID 165059208
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol (PubChem CID 165059208) has the molecular formula C163H191Cl3FN9O3 and a molecular weight of 2449.74 g/mol. Its IUPAC name is 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol.
| Compound Name | 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol |
|---|---|
| PubChem CID | 165059208 |
| Molecular Formula | C163H191Cl3FN9O3 |
| Molecular Weight | 2449.74 g/mol |
| Exact Mass | 2446.41 |
| IUPAC Name | 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol |
| SMILES | C=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2cccn12.CC(C)c1cc(O)cn2cccc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2 |
| InChI | InChI=1S/3C13H16.3C12H13Cl.C12H15N.C11H12FN.2C11H13NO.3C11H13N.C10H12N2O/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)10-6-9(13)7-12-5-3-4-11(10)12;1-8(2)11-7-10(13)6-9-4-3-5-12(9)11;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9/h4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-8,13H,1-3H3;3-7,13H,1-2H3;2*3-8,13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-4,6,13H,5H2,1-2H3 |
| InChIKey | QXSSIJROHVVCTQ-UHFFFAOYSA-N |
| XLogP | 44.17 |
| TPSA | 164.48 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 179 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2449.74 |
| LogP ≤ 5 | 44.17 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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