C165H115Br5N18 — CID 158511164
3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 158511164) has the molecular formula C165H115Br5N18 and a molecular weight of 2749.38 g/mol. Its IUPAC name is 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.
| Compound Name | 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole |
|---|---|
| PubChem CID | 158511164 |
| Molecular Formula | C165H115Br5N18 |
| Molecular Weight | 2749.38 g/mol |
| Exact Mass | 2742.55 |
| IUPAC Name | 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole |
| SMILES | Brc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1.Brc1ccc2[nH]cc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(-c3ccccc3)cc2)c(-c2ccc(-c3ccccc3)cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(Br)cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 |
| InChI | InChI=1S/C36H27N3.C35H24BrN3.C24H18BrN3.C24H17N3.C23H15Br2N3.C23H14BrN3/c1-24-33(31-14-8-9-15-32(31)37-24)36-38-34(29-20-16-27(17-21-29)25-10-4-2-5-11-25)35(39-36)30-22-18-28(19-23-30)26-12-6-3-7-13-26;36-29-19-20-32-30(21-29)31(22-37-32)35-38-33(27-15-11-25(12-16-27)23-7-3-1-4-8-23)34(39-35)28-17-13-26(14-18-28)24-9-5-2-6-10-24;1-15-21(19-9-5-6-10-20(19)26-15)24-27-22(16-7-3-2-4-8-16)23(28-24)17-11-13-18(25)14-12-17;1-14-21(19-12-6-7-13-20(19)25-14)24-26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)23(22)27-24;24-16-8-6-15(7-9-16)22-21(14-4-2-1-3-5-14)27-23(28-22)19-13-26-20-11-10-17(25)12-18(19)20;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23/h2-23,37H,1H3,(H,38,39);1-22,37H,(H,38,39);2-14,26H,1H3,(H,27,28);2-13,25H,1H3,(H,26,27);1-13,26H,(H,27,28);1-12,25H,(H,26,27) |
| InChIKey | HLBMJKIBBOTQHM-UHFFFAOYSA-N |
| XLogP | 47.01 |
| TPSA | 266.82 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2749.38 |
| LogP ≤ 5 | 47.01 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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