C234H278ClF2N13O10 — CID 165061884
6-chloro-1-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;7-methyl-1-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);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;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline (PubChem CID 165061884) has the molecular formula C234H278ClF2N13O10 and a molecular weight of 3506.33 g/mol. Its IUPAC name is 6-chloro-1-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;7-methyl-1-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);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;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline.
| Compound Name | 6-chloro-1-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;7-methyl-1-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);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;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline |
|---|---|
| PubChem CID | 165061884 |
| Molecular Formula | C234H278ClF2N13O10 |
| Molecular Weight | 3506.33 g/mol |
| Exact Mass | 3503.13 |
| IUPAC Name | 6-chloro-1-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;7-methyl-1-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);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;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline |
| SMILES | C=C1CCc2cc(O)cc(C(C)C)c2N1.C=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)C1C=Cc2ccc(Cl)cc21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cn2cccc12.CC(C)c1cccc2cccnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)C=C2 |
| InChI | InChI=1S/4C14H16O.C13H13FO.C13H19NO.C13H17NO.2C13H16.C12H13Cl.C12H16N2O.C12H15N.C12H13N.C11H12FN.C11H13NO.3C11H13N.C10H12N2O/c2*1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;2*1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-8(2)12-7-11(15)6-10-5-4-9(3)14-13(10)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)11-6-4-9-3-5-10(13)7-12(9)11;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-9(2)11-7-3-5-10-6-4-8-13-12(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)11-7-12-6-9-4-3-5-10(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*4-9,15H,1-3H3;3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;6-8,14-15H,3-5H2,1-2H3;4,6-9H,5H2,1-3H3;4-9,12H,1-3H3;3-8,11H,1-2H3;4-5,7,13-15H,3,6H2,1-2H3;4-8,13H,1-3H3;3-9H,1-2H3;3-7,13H,1-2H3;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 | RILQDPRTIOSFFY-UHFFFAOYSA-N |
| XLogP | 61.87 |
| TPSA | 353.90 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 260 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3506.33 |
| LogP ≤ 5 | 61.87 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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