C168H116N16Si2 — CID 158841739
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-triphenylsilane;[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-triphenylsilane;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 158841739) has the molecular formula C168H116N16Si2 and a molecular weight of 2415.06 g/mol. Its IUPAC name is 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-triphenylsilane;[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-triphenylsilane;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-triphenylsilane;[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-triphenylsilane;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 158841739 |
| Molecular Formula | C168H116N16Si2 |
| Molecular Weight | 2415.06 g/mol |
| Exact Mass | 2412.91 |
| IUPAC Name | 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-triphenylsilane;[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-triphenylsilane;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)n2)cc1 |
| InChI | InChI=1S/C51H36N4Si.C45H32N4Si.C39H26N4.C33H22N4/c1-6-18-38(19-7-1)49-52-50(39-20-8-2-9-21-39)54-51(53-49)55-47-29-17-16-28-45(47)46-36-40(32-35-48(46)55)37-30-33-44(34-31-37)56(41-22-10-3-11-23-41,42-24-12-4-13-25-42)43-26-14-5-15-27-43;1-6-18-33(19-7-1)43-46-44(34-20-8-2-9-21-34)48-45(47-43)49-41-29-17-16-28-39(41)40-32-38(30-31-42(40)49)50(35-22-10-3-11-23-35,36-24-12-4-13-25-36)37-26-14-5-15-27-37;1-3-11-27(12-4-1)29-19-23-31(24-20-29)37-40-38(32-25-21-30(22-26-32)28-13-5-2-6-14-28)42-39(41-37)43-35-17-9-7-15-33(35)34-16-8-10-18-36(34)43;1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37/h1-36H;1-32H;1-26H;1-22H |
| InChIKey | IYIGPKCNFAJPEQ-UHFFFAOYSA-N |
| XLogP | 34.63 |
| TPSA | 174.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2415.06 |
| LogP ≤ 5 | 34.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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