C192H156B3Br4N5O8 — CID 157243440
N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 157243440) has the molecular formula C192H156B3Br4N5O8 and a molecular weight of 3013.44 g/mol. Its IUPAC name is N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
| Compound Name | N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole |
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| PubChem CID | 157243440 |
| Molecular Formula | C192H156B3Br4N5O8 |
| Molecular Weight | 3013.44 g/mol |
| Exact Mass | 3007.90 |
| IUPAC Name | N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole |
| SMILES | Brc1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc(-c2cccc3c2oc2ccccc23)c1.Brc1cc(Br)cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.CC1(C)OB(c2cccc3c2oc2ccccc23)OC1(C)C |
| InChI | InChI=1S/C48H32BrNO.C36H34BNO2.C36H25Br2N.C30H22BrN.C24H24BNO2.C18H19BO3/c49-40-31-38(30-39(32-40)44-15-9-16-46-45-14-7-8-17-47(45)51-48(44)46)37-20-18-34(19-21-37)36-24-28-43(29-25-36)50(41-12-5-2-6-13-41)42-26-22-35(23-27-42)33-10-3-1-4-11-33;1-35(2)36(3,4)40-37(39-35)31-21-15-28(16-22-31)30-19-25-34(26-20-30)38(32-13-9-6-10-14-32)33-23-17-29(18-24-33)27-11-7-5-8-12-27;37-32-23-31(24-33(38)25-32)30-13-11-27(12-14-30)29-17-21-36(22-18-29)39(34-9-5-2-6-10-34)35-19-15-28(16-20-35)26-7-3-1-4-8-26;31-27-17-11-24(12-18-27)26-15-21-30(22-16-26)32(28-9-5-2-6-10-28)29-19-13-25(14-20-29)23-7-3-1-4-8-23;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;1-17(2)18(3,4)22-19(21-17)14-10-7-9-13-12-8-5-6-11-15(12)20-16(13)14/h1-32H;5-26H,1-4H3;1-25H;1-22H;5-16H,1-4H3;5-11H,1-4H3 |
| InChIKey | AVMBDIVKFULBNE-UHFFFAOYSA-N |
| XLogP | 53.18 |
| TPSA | 99.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 212 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3013.44 |
| LogP ≤ 5 | 53.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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