C183H135B2Br3N10O6 — CID 164977506
7-bromo-2-naphthalen-2-ylquinoline;4-bromo-N-[2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;5-(4-bromophenyl)-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;1-naphthalen-2-ylethanone;2-(2-naphthalen-2-ylquinolin-7-yl)aniline;3-naphthalen-2-yl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 164977506) has the molecular formula C183H135B2Br3N10O6 and a molecular weight of 2831.49 g/mol. Its IUPAC name is 7-bromo-2-naphthalen-2-ylquinoline;4-bromo-N-[2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;5-(4-bromophenyl)-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;1-naphthalen-2-ylethanone;2-(2-naphthalen-2-ylquinolin-7-yl)aniline;3-naphthalen-2-yl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.
| Compound Name | 7-bromo-2-naphthalen-2-ylquinoline;4-bromo-N-[2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;5-(4-bromophenyl)-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;1-naphthalen-2-ylethanone;2-(2-naphthalen-2-ylquinolin-7-yl)aniline;3-naphthalen-2-yl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
|---|---|
| PubChem CID | 164977506 |
| Molecular Formula | C183H135B2Br3N10O6 |
| Molecular Weight | 2831.49 g/mol |
| Exact Mass | 2826.83 |
| IUPAC Name | 7-bromo-2-naphthalen-2-ylquinoline;4-bromo-N-[2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;5-(4-bromophenyl)-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;1-naphthalen-2-ylethanone;2-(2-naphthalen-2-ylquinolin-7-yl)aniline;3-naphthalen-2-yl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
| SMILES | Brc1ccc(-c2nc3ccccc3c3ccc4ccc(-c5ccc6ccccc6c5)nc4c23)cc1.Brc1ccc2ccc(-c3ccc4ccccc4c3)nc2c1.CC(=O)c1ccc2ccccc2c1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4ccc5ccc(-c6ccc7ccccc7c6)nc5c34)cc2)OC1(C)C.CC1(C)OB(c2ccc3ccc(-c4ccc5ccccc5c4)nc3c2)OC1(C)C.Nc1ccccc1-c1ccc2ccc(-c3ccc4ccccc4c3)nc2c1.O=C(Nc1ccccc1-c1ccc2ccc(-c3ccc4ccccc4c3)nc2c1)c1ccc(Br)cc1 |
| InChI | InChI=1S/C38H31BN2O2.C32H21BrN2O.C32H19BrN2.C25H24BNO2.C25H18N2.C19H12BrN.C12H10O/c1-37(2)38(3,4)43-39(42-37)29-19-15-25(16-20-29)36-34-31(30-11-7-8-12-33(30)41-36)21-17-26-18-22-32(40-35(26)34)28-14-13-24-9-5-6-10-27(24)23-28;33-27-16-13-23(14-17-27)32(36)35-30-8-4-3-7-28(30)25-11-10-22-15-18-29(34-31(22)20-25)26-12-9-21-5-1-2-6-24(21)19-26;33-25-15-11-21(12-16-25)32-30-27(26-7-3-4-8-29(26)35-32)17-13-22-14-18-28(34-31(22)30)24-10-9-20-5-1-2-6-23(20)19-24;1-24(2)25(3,4)29-26(28-24)21-13-11-18-12-14-22(27-23(18)16-21)20-10-9-17-7-5-6-8-19(17)15-20;26-23-8-4-3-7-22(23)20-11-10-18-13-14-24(27-25(18)16-20)21-12-9-17-5-1-2-6-19(17)15-21;20-17-9-7-14-8-10-18(21-19(14)12-17)16-6-5-13-3-1-2-4-15(13)11-16;1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h5-23H,1-4H3;1-20H,(H,35,36);1-19H;5-16H,1-4H3;1-16H,26H2;1-12H;2-8H,1H3 |
| InChIKey | DZPCWJLUZOQSQP-UHFFFAOYSA-N |
| XLogP | 47.16 |
| TPSA | 212.23 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2831.49 |
| LogP ≤ 5 | 47.16 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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