C131H148BrF9MgN10O7Si4 — CID 162192025
magnesium;8-[bis(prop-2-enyl)amino]-1,10,10-trimethyl-2,3-dihydro-[1]benzosilino[3,2-f]indol-5-one;1,3-dimethylbenzene-2-ide;5-(2,6-dimethylphenyl)-1,10,10-trimethyl-N,N-bis(prop-2-enyl)-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-amine;5-(2,6-dimethylphenyl)-1,10,10-trimethyl-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-amine;methane;N-methyl-4-[[1,10,10-trimethyl-5-(2-methylphenyl)-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-yl]diazenyl]aniline;tris(2,2,2-trifluoroacetate);bromide (PubChem CID 162192025) has the molecular formula C131H148BrF9MgN10O7Si4 and a molecular weight of 2362.22 g/mol. Its IUPAC name is magnesium;8-[bis(prop-2-enyl)amino]-1,10,10-trimethyl-2,3-dihydro-[1]benzosilino[3,2-f]indol-5-one;1,3-dimethylbenzene-2-ide;5-(2,6-dimethylphenyl)-1,10,10-trimethyl-N,N-bis(prop-2-enyl)-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-amine;5-(2,6-dimethylphenyl)-1,10,10-trimethyl-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-amine;methane;N-methyl-4-[[1,10,10-trimethyl-5-(2-methylphenyl)-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-yl]diazenyl]aniline;tris(2,2,2-trifluoroacetate);bromide.
| Compound Name | magnesium;8-[bis(prop-2-enyl)amino]-1,10,10-trimethyl-2,3-dihydro-[1]benzosilino[3,2-f]indol-5-one;1,3-dimethylbenzene-2-ide;5-(2,6-dimethylphenyl)-1,10,10-trimethyl-N,N-bis(prop-2-enyl)-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-amine;5-(2,6-dimethylphenyl)-1,10,10-trimethyl-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-amine;methane;N-methyl-4-[[1,10,10-trimethyl-5-(2-methylphenyl)-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-yl]diazenyl]aniline;tris(2,2,2-trifluoroacetate);bromide |
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| PubChem CID | 162192025 |
| Molecular Formula | C131H148BrF9MgN10O7Si4 |
| Molecular Weight | 2362.22 g/mol |
| Exact Mass | 2358.95 |
| IUPAC Name | magnesium;8-[bis(prop-2-enyl)amino]-1,10,10-trimethyl-2,3-dihydro-[1]benzosilino[3,2-f]indol-5-one;1,3-dimethylbenzene-2-ide;5-(2,6-dimethylphenyl)-1,10,10-trimethyl-N,N-bis(prop-2-enyl)-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-amine;5-(2,6-dimethylphenyl)-1,10,10-trimethyl-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-amine;methane;N-methyl-4-[[1,10,10-trimethyl-5-(2-methylphenyl)-2,3-dihydro-[1]benzosilino[3,2-f]indol-1-ium-8-yl]diazenyl]aniline;tris(2,2,2-trifluoroacetate);bromide |
| SMILES | C.C.C.C=CCN(CC=C)c1ccc2c(c1)[Si](C)(C)c1cc3c(cc1=C2c1c(C)cccc1C)CC[N+]=3C.C=CCN(CC=C)c1ccc2c(c1)[Si](C)(C)c1cc3c(cc1C2=O)CCN3C.CNc1ccc(/N=N/c2ccc3c(c2)[Si](C)(C)c2cc4c(cc2=C3c2ccccc2C)CC[N+]=4C)cc1.Cc1[c-]c(C)ccc1.Cc1cccc(C)c1C1=c2cc3c(cc2[Si](C)(C)c2cc(N)ccc21)=[N+](C)CC3.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Mg+2] |
| InChI | InChI=1S/C32H32N4Si.C32H37N2Si.C26H28N2Si.C24H28N2OSi.C8H9.3C2HF3O2.3CH4.BrH.Mg/c1-21-8-6-7-9-26(21)32-27-15-14-25(35-34-24-12-10-23(33-2)11-13-24)19-30(27)37(4,5)31-20-29-22(18-28(31)32)16-17-36(29)3;1-8-16-34(17-9-2)25-13-14-26-29(20-25)35(6,7)30-21-28-24(15-18-33(28)5)19-27(30)32(26)31-22(3)11-10-12-23(31)4;1-16-7-6-8-17(2)25(16)26-20-10-9-19(27)14-23(20)29(4,5)24-15-22-18(13-21(24)26)11-12-28(22)3;1-6-11-26(12-7-2)18-8-9-19-22(15-18)28(4,5)23-16-21-17(10-13-25(21)3)14-20(23)24(19)27;1-7-4-3-5-8(2)6-7;3*3-2(4,5)1(6)7;;;;;/h6-15,18-20H,16-17H2,1-5H3;8-14,19-21H,1-2,15-18H2,3-7H3;6-10,13-15,27H,11-12H2,1-5H3;6-9,14-16H,1-2,10-13H2,3-5H3;3-5H,1-2H3;3*(H,6,7);3*1H4;1H;/q;+1;;;-1;;;;;;;;+2/p-2 |
| InChIKey | ZLNXZQHIQLRBJV-UHFFFAOYSA-L |
| XLogP | 11.76 |
| TPSA | 218.98 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2362.22 |
| LogP ≤ 5 | 11.76 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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