C193H220Br2Cl6FMo2N10O5W3-5 — CID 157128021
4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;bis(2,6-ditert-butylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;bis(pyrrol-1-ide);tris(4-methylphenyl)methanol (PubChem CID 157128021) has the molecular formula C193H220Br2Cl6FMo2N10O5W3-5 and a molecular weight of 3894.87 g/mol. Its IUPAC name is 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;bis(2,6-ditert-butylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;bis(pyrrol-1-ide);tris(4-methylphenyl)methanol.
| Compound Name | 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;bis(2,6-ditert-butylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;bis(pyrrol-1-ide);tris(4-methylphenyl)methanol |
|---|---|
| PubChem CID | 157128021 |
| Molecular Formula | C193H220Br2Cl6FMo2N10O5W3-5 |
| Molecular Weight | 3894.87 g/mol |
| Exact Mass | 3892.04 |
| IUPAC Name | 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;bis(2,6-ditert-butylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;bis(pyrrol-1-ide);tris(4-methylphenyl)methanol |
| SMILES | CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)c1cccc(C(C)(C)C)c1O.CC(C)(C)c1cccc(C(C)(C)C)c1O.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1ccc(-c2c(O)c(-c3ccc(Br)cc3)c(-c3ccccc3)c(Br)c2-c2ccccc2)cc1.Cc1ccc(C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1 |
| InChI | InChI=1S/C31H22Br2O.C22H22O.C18H13FO.2C14H22O.C12H17N.C10H12.C8H9N.3C6H3Cl2N.3C6H8N.4C5H10.2C4H4N.2Mo.3W/c1-20-12-14-23(15-13-20)28-26(21-8-4-2-5-9-21)30(33)27(22-10-6-3-7-11-22)29(31(28)34)24-16-18-25(32)19-17-24;1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;2*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;3*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;4*1-5(2,3)4;2*1-2-4-5-3-1;;;;;/h2-19,34H,1H3;4-15,23H,1-3H3;1-12,20H;2*7-9,15H,1-6H3;5-9H,1-4H3;1,4-8H,2-3H3;3-5H,1-2H3;3*1-3H;3*3-4H,1-2H3;4*1H,2-4H3;2*1-4H;;;;;/q;;;;;;;;;;;3*-1;;;;;2*-1;;;;; |
| InChIKey | VNELGJBRFYCYDB-UHFFFAOYSA-N |
| XLogP | 57.58 |
| TPSA | 233.45 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 222 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3894.87 |
| LogP ≤ 5 | 57.58 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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