C198H248FN13O9 — CID 165079541
5-cyclopropyl-4-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);5-fluoro-3-propan-2-yl-1H-indene;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-7-propan-2-ylindazol-5-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene (PubChem CID 165079541) has the molecular formula C198H248FN13O9 and a molecular weight of 2973.24 g/mol. Its IUPAC name is 5-cyclopropyl-4-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);5-fluoro-3-propan-2-yl-1H-indene;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-7-propan-2-ylindazol-5-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene.
| Compound Name | 5-cyclopropyl-4-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);5-fluoro-3-propan-2-yl-1H-indene;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-7-propan-2-ylindazol-5-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene |
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| PubChem CID | 165079541 |
| Molecular Formula | C198H248FN13O9 |
| Molecular Weight | 2973.24 g/mol |
| Exact Mass | 2970.93 |
| IUPAC Name | 5-cyclopropyl-4-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);5-fluoro-3-propan-2-yl-1H-indene;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-7-propan-2-ylindazol-5-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene |
| SMILES | CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2ccccc21.CC(C)c1c(C2CC2)ccc2c1C=CC2.CC(C)c1cc(N)cc2c1ccn2C.CC(C)c1cc(O)cc2c1CCN2C.CC(C)c1cc(O)cc2c1CNC2=O.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2ccn(C)c12.CC(C)c1cc(O)cc2cn(C)nc12.CC(C)c1cc(O)cc2nn(C)cc12.CC1=C(C(C)C)c2ccccc2C1.COc1cc(C(C)C)c2c(ccn2C)c1.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1nc2c(C(C)C)cc(O)cc2[nH]1 |
| InChI | InChI=1S/C15H18.2C14H18.C13H17NO.2C13H16.C12H13F.C12H16N2.C12H17NO.2C12H15NO.C12H14.3C11H14N2O.C11H13NO2/c1-10(2)15-13-5-3-4-11(13)8-9-14(15)12-6-7-12;2*1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-9(2)12-8-11(15-4)7-10-5-6-14(3)13(10)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3;2*1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3;1-8(2)11-7-10(14)6-9-4-5-13(3)12(9)11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)10-5-9(14)4-8-6-13(3)12-11(8)10;1-7(2)9-4-8(14)5-11-10(9)6-13(3)12-11;1-6(2)9-4-8(14)5-10-11(9)13-7(3)12-10;1-6(2)8-3-7(13)4-9-10(8)5-12-11(9)14/h3,5,8-10,12H,4,6-7H2,1-2H3;2*5,7-9H,6H2,1-4H3;5-9H,1-4H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;3,5-8H,4H2,1-2H3;4-8H,13H2,1-3H3;6-8,14H,4-5H2,1-3H3;2*4-8,14H,1-3H3;3-6,8-9H,7H2,1-2H3;2*4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);3-4,6,13H,5H2,1-2H3,(H,12,14) |
| InChIKey | UWSZHDCLMPWFLY-UHFFFAOYSA-N |
| XLogP | 50.29 |
| TPSA | 293.24 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 221 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2973.24 |
| LogP ≤ 5 | 50.29 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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