C136H105BBrCl4I4K2N14O2PtV2- — CID 158111284
N-(3-bromophenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-bis(3-pyridin-2-ylphenyl)aniline;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole;iodoform;iodomethane;potassiopotassium;tetrachloroplatinum;bis(vanadium) (PubChem CID 158111284) has the molecular formula C136H105BBrCl4I4K2N14O2PtV2- and a molecular weight of 3082.74 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-bis(3-pyridin-2-ylphenyl)aniline;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole;iodoform;iodomethane;potassiopotassium;tetrachloroplatinum;bis(vanadium).
| Compound Name | N-(3-bromophenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-bis(3-pyridin-2-ylphenyl)aniline;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole;iodoform;iodomethane;potassiopotassium;tetrachloroplatinum;bis(vanadium) |
|---|---|
| PubChem CID | 158111284 |
| Molecular Formula | C136H105BBrCl4I4K2N14O2PtV2- |
| Molecular Weight | 3082.74 g/mol |
| Exact Mass | 3078.06 |
| IUPAC Name | N-(3-bromophenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-bis(3-pyridin-2-ylphenyl)aniline;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole;iodoform;iodomethane;potassiopotassium;tetrachloroplatinum;bis(vanadium) |
| SMILES | Brc1cccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)c1.CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(N(c6cccc(-c7ccccn7)c6)c6cccc(-c7ccccn7)c6)c5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(B5OC(C)(C)C(C)(C)O5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.Cl[Pt](Cl)(Cl)Cl.IC(I)I.[CH2-]I.[K][K].[V].[V] |
| InChI | InChI=1S/C64H45N7.C42H37BN4O2.C28H20BrN3.CHI3.CH2I.4ClH.2K.Pt.2V/c1-64(2)55-29-10-9-28-51(55)52-40-54-53-39-45(32-33-59(53)71(60(54)41-56(52)64)63-68-61(42-18-5-3-6-19-42)67-62(69-63)43-20-7-4-8-21-43)44-22-15-25-48(36-44)70(49-26-16-23-46(37-49)57-30-11-13-34-65-57)50-27-17-24-47(38-50)58-31-12-14-35-66-58;1-40(2)33-20-14-13-19-29(33)30-24-32-31-23-28(43-48-41(3,4)42(5,6)49-43)21-22-35(31)47(36(32)25-34(30)40)39-45-37(26-15-9-7-10-16-26)44-38(46-39)27-17-11-8-12-18-27;29-23-10-7-13-26(20-23)32(24-11-5-8-21(18-24)27-14-1-3-16-30-27)25-12-6-9-22(19-25)28-15-2-4-17-31-28;2-1(3)4;1-2;;;;;;;;;/h3-41H,1-2H3;7-25H,1-6H3;1-20H;1H;1H2;4*1H;;;;;/q;;;;-1;;;;;;;+4;;/p-4 |
| InChIKey | PZRVUDHCSYTIAU-UHFFFAOYSA-J |
| XLogP | 38.60 |
| TPSA | 163.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3082.74 |
| LogP ≤ 5 | 38.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|