C154H161N9Pt3Si6 — CID 157239582
3,5-dimethyl-N,N-bis[3-(5-triphenylsilyl-2-pyridinyl)benzene-2-id-1-yl]aniline;tris(platinum(2+));2,4,6-trimethyl-N,N-bis[3-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]benzene-2-id-1-yl]aniline;2,4,6-trimethyl-N,N-bis[3-(5-triethylsilyl-2-pyridinyl)benzene-2-id-1-yl]aniline (PubChem CID 157239582) has the molecular formula C154H161N9Pt3Si6 and a molecular weight of 2891.79 g/mol. Its IUPAC name is 3,5-dimethyl-N,N-bis[3-(5-triphenylsilyl-2-pyridinyl)benzene-2-id-1-yl]aniline;tris(platinum(2+));2,4,6-trimethyl-N,N-bis[3-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]benzene-2-id-1-yl]aniline;2,4,6-trimethyl-N,N-bis[3-(5-triethylsilyl-2-pyridinyl)benzene-2-id-1-yl]aniline.
| Compound Name | 3,5-dimethyl-N,N-bis[3-(5-triphenylsilyl-2-pyridinyl)benzene-2-id-1-yl]aniline;tris(platinum(2+));2,4,6-trimethyl-N,N-bis[3-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]benzene-2-id-1-yl]aniline;2,4,6-trimethyl-N,N-bis[3-(5-triethylsilyl-2-pyridinyl)benzene-2-id-1-yl]aniline |
|---|---|
| PubChem CID | 157239582 |
| Molecular Formula | C154H161N9Pt3Si6 |
| Molecular Weight | 2891.79 g/mol |
| Exact Mass | 2889.04 |
| IUPAC Name | 3,5-dimethyl-N,N-bis[3-(5-triphenylsilyl-2-pyridinyl)benzene-2-id-1-yl]aniline;tris(platinum(2+));2,4,6-trimethyl-N,N-bis[3-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]benzene-2-id-1-yl]aniline;2,4,6-trimethyl-N,N-bis[3-(5-triethylsilyl-2-pyridinyl)benzene-2-id-1-yl]aniline |
| SMILES | CC[Si](CC)(CC)c1ccc(-c2[c-]c(N(c3[c-]c(-c4ccc([Si](CC)(CC)CC)cn4)ccc3)c3c(C)cc(C)cc3C)ccc2)nc1.Cc1cc(C)c(N(c2[c-]c(-c3cc(CC(C)C)c([Si](C)(C)C)cn3)ccc2)c2[c-]c(-c3cc(CC(C)C)c([Si](C)(C)C)cn3)ccc2)c(C)c1.Cc1cc(C)cc(N(c2[c-]c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2)c2[c-]c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C66H51N3Si2.C45H57N3Si2.C43H53N3Si2.3Pt/c1-50-43-51(2)45-56(44-50)69(54-25-21-23-52(46-54)65-41-39-63(48-67-65)70(57-27-9-3-10-28-57,58-29-11-4-12-30-58)59-31-13-5-14-32-59)55-26-22-24-53(47-55)66-42-40-64(49-68-66)71(60-33-15-6-16-34-60,61-35-17-7-18-36-61)62-37-19-8-20-38-62;1-30(2)20-37-26-41(46-28-43(37)49(8,9)10)35-16-14-18-39(24-35)48(45-33(6)22-32(5)23-34(45)7)40-19-15-17-36(25-40)42-27-38(21-31(3)4)44(29-47-42)50(11,12)13;1-10-47(11-2,12-3)39-22-24-41(44-30-39)35-18-16-20-37(28-35)46(43-33(8)26-32(7)27-34(43)9)38-21-17-19-36(29-38)42-25-23-40(31-45-42)48(13-4,14-5)15-6;;;/h3-45,48-49H,1-2H3;14-19,22-23,26-31H,20-21H2,1-13H3;16-27,30-31H,10-15H2,1-9H3;;;/q3*-2;3*+2 |
| InChIKey | BFFCWQWMOZCSTE-UHFFFAOYSA-N |
| XLogP | 32.78 |
| TPSA | 87.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 172 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2891.79 |
| LogP ≤ 5 | 32.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
|---|