C181H123N17Si2 — CID 160567340
[4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane;[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;9-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 160567340) has the molecular formula C181H123N17Si2 and a molecular weight of 2592.27 g/mol. Its IUPAC name is [4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane;[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;9-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
| Compound Name | [4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane;[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;9-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole |
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| PubChem CID | 160567340 |
| Molecular Formula | C181H123N17Si2 |
| Molecular Weight | 2592.27 g/mol |
| Exact Mass | 2589.97 |
| IUPAC Name | [4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane;[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;9-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole |
| SMILES | [C-]#[N+]c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1 |
| InChI | InChI=1S/C57H40N4Si.C51H36N4Si.C39H26N4.C34H21N5/c1-5-19-42(20-6-1)55-58-56(60-57(59-55)45-23-18-24-46(40-45)61-53-33-15-13-31-51(53)52-32-14-16-34-54(52)61)44-22-17-21-43(39-44)41-35-37-50(38-36-41)62(47-25-7-2-8-26-47,48-27-9-3-10-28-48)49-29-11-4-12-30-49;1-5-19-37(20-6-1)49-52-50(38-21-17-23-40(35-38)55-47-33-15-13-31-45(47)46-32-14-16-34-48(46)55)54-51(53-49)39-22-18-30-44(36-39)56(41-24-7-2-8-25-41,42-26-9-3-10-27-42)43-28-11-4-12-29-43;1-3-13-27(14-4-1)29-17-11-18-30(25-29)38-40-37(28-15-5-2-6-16-28)41-39(42-38)31-19-12-20-32(26-31)43-35-23-9-7-21-33(35)34-22-8-10-24-36(34)43;1-35-26-15-9-13-24(21-26)33-36-32(23-11-3-2-4-12-23)37-34(38-33)25-14-10-16-27(22-25)39-30-19-7-5-17-28(30)29-18-6-8-20-31(29)39/h1-40H;1-36H;1-26H;2-22H |
| InChIKey | RACCVWCXQQRSEH-UHFFFAOYSA-N |
| XLogP | 38.52 |
| TPSA | 178.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2592.27 |
| LogP ≤ 5 | 38.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| 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'} |
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