C160H175Br4N13O13 — CID 160859265
(4-bromophenyl)hydrazine;6-bromo-2,3,4,9-tetrahydro-1H-carbazole;9H-carbazole;4-(carbazol-9-ylmethyl)-N-hydroxybenzamide;cyclohexanone;6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]-N-hydroxyhexanamide;ethyl 6-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)hexanoate;ethyl 6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]hexanoate;methyl 4-(bromomethyl)benzoate;methyl 4-(carbazol-9-ylmethyl)benzoate (PubChem CID 160859265) has the molecular formula C160H175Br4N13O13 and a molecular weight of 2807.85 g/mol. Its IUPAC name is (4-bromophenyl)hydrazine;6-bromo-2,3,4,9-tetrahydro-1H-carbazole;9H-carbazole;4-(carbazol-9-ylmethyl)-N-hydroxybenzamide;cyclohexanone;6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]-N-hydroxyhexanamide;ethyl 6-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)hexanoate;ethyl 6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]hexanoate;methyl 4-(bromomethyl)benzoate;methyl 4-(carbazol-9-ylmethyl)benzoate.
| Compound Name | (4-bromophenyl)hydrazine;6-bromo-2,3,4,9-tetrahydro-1H-carbazole;9H-carbazole;4-(carbazol-9-ylmethyl)-N-hydroxybenzamide;cyclohexanone;6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]-N-hydroxyhexanamide;ethyl 6-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)hexanoate;ethyl 6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]hexanoate;methyl 4-(bromomethyl)benzoate;methyl 4-(carbazol-9-ylmethyl)benzoate |
|---|---|
| PubChem CID | 160859265 |
| Molecular Formula | C160H175Br4N13O13 |
| Molecular Weight | 2807.85 g/mol |
| Exact Mass | 2802.02 |
| IUPAC Name | (4-bromophenyl)hydrazine;6-bromo-2,3,4,9-tetrahydro-1H-carbazole;9H-carbazole;4-(carbazol-9-ylmethyl)-N-hydroxybenzamide;cyclohexanone;6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]-N-hydroxyhexanamide;ethyl 6-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)hexanoate;ethyl 6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]hexanoate;methyl 4-(bromomethyl)benzoate;methyl 4-(carbazol-9-ylmethyl)benzoate |
| SMILES | Brc1ccc2[nH]c3c(c2c1)CCCC3.CCOC(=O)CCCCCn1c2c(c3cc(-c4ccc(N(C)C)cc4)ccc31)CCCC2.CCOC(=O)CCCCCn1c2c(c3cc(Br)ccc31)CCCC2.CN(C)c1ccc(-c2ccc3c(c2)c2c(n3CCCCCC(=O)NO)CCCC2)cc1.COC(=O)c1ccc(CBr)cc1.COC(=O)c1ccc(Cn2c3ccccc3c3ccccc32)cc1.NNc1ccc(Br)cc1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)cc1.O=C1CCCCC1.c1ccc2c(c1)[nH]c1ccccc12 |
| InChI | InChI=1S/C28H36N2O2.C26H33N3O2.C21H17NO2.C20H26BrNO2.C20H16N2O2.C12H12BrN.C12H9N.C9H9BrO2.C6H7BrN2.C6H10O/c1-4-32-28(31)12-6-5-9-19-30-26-11-8-7-10-24(26)25-20-22(15-18-27(25)30)21-13-16-23(17-14-21)29(2)3;1-28(2)21-14-11-19(12-15-21)20-13-16-25-23(18-20)22-8-5-6-9-24(22)29(25)17-7-3-4-10-26(30)27-31;1-24-21(23)16-12-10-15(11-13-16)14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22;1-2-24-20(23)10-4-3-7-13-22-18-9-6-5-8-16(18)17-14-15(21)11-12-19(17)22;23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-12-9(11)8-4-2-7(6-10)3-5-8;7-5-1-3-6(9-8)4-2-5;7-6-4-2-1-3-5-6/h13-18,20H,4-12,19H2,1-3H3;11-16,18,31H,3-10,17H2,1-2H3,(H,27,30);2-13H,14H2,1H3;11-12,14H,2-10,13H2,1H3;1-12,24H,13H2,(H,21,23);5-7,14H,1-4H2;1-8,13H;2-5H,6H2,1H3;1-4,9H,8H2;1-5H2 |
| InChIKey | SKGOXDYUIWCLRU-UHFFFAOYSA-N |
| XLogP | 38.45 |
| TPSA | 321.69 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 190 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2807.85 |
| LogP ≤ 5 | 38.45 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'} |
|---|