C194H132N20Si2 — CID 160690451
9-[4-carbazol-9-yl-6-(3-tritylphenyl)-1,3,5-triazin-2-yl]carbazole;9-(4-carbazol-9-yl-6-trityl-1,3,5-triazin-2-yl)carbazole;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylsilane (PubChem CID 160690451) has the molecular formula C194H132N20Si2 and a molecular weight of 2799.50 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(3-tritylphenyl)-1,3,5-triazin-2-yl]carbazole;9-(4-carbazol-9-yl-6-trityl-1,3,5-triazin-2-yl)carbazole;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylsilane.
| Compound Name | 9-[4-carbazol-9-yl-6-(3-tritylphenyl)-1,3,5-triazin-2-yl]carbazole;9-(4-carbazol-9-yl-6-trityl-1,3,5-triazin-2-yl)carbazole;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylsilane |
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| PubChem CID | 160690451 |
| Molecular Formula | C194H132N20Si2 |
| Molecular Weight | 2799.50 g/mol |
| Exact Mass | 2797.05 |
| IUPAC Name | 9-[4-carbazol-9-yl-6-(3-tritylphenyl)-1,3,5-triazin-2-yl]carbazole;9-(4-carbazol-9-yl-6-trityl-1,3,5-triazin-2-yl)carbazole;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylsilane |
| SMILES | c1ccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.c1ccc(C(c2ccccc2)(c2ccccc2)c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C52H35N5.C51H35N5Si.C46H31N5.C45H31N5Si/c1-4-20-37(21-5-1)52(38-22-6-2-7-23-38,39-24-8-3-9-25-39)40-26-18-19-36(35-40)49-53-50(56-45-31-14-10-27-41(45)42-28-11-15-32-46(42)56)55-51(54-49)57-47-33-16-12-29-43(47)44-30-13-17-34-48(44)57;1-4-20-37(21-5-1)57(38-22-6-2-7-23-38,39-24-8-3-9-25-39)40-26-18-19-36(35-40)49-52-50(55-45-31-14-10-27-41(45)42-28-11-15-32-46(42)55)54-51(53-49)56-47-33-16-12-29-43(47)44-30-13-17-34-48(44)56;1-4-18-32(19-5-1)46(33-20-6-2-7-21-33,34-22-8-3-9-23-34)43-47-44(50-39-28-14-10-24-35(39)36-25-11-15-29-40(36)50)49-45(48-43)51-41-30-16-12-26-37(41)38-27-13-17-31-42(38)51;1-4-18-32(19-5-1)51(33-20-6-2-7-21-33,34-22-8-3-9-23-34)45-47-43(49-39-28-14-10-24-35(39)36-25-11-15-29-40(36)49)46-44(48-45)50-41-30-16-12-26-37(41)38-27-13-17-31-42(38)50/h2*1-35H;2*1-31H |
| InChIKey | RPIJUNQAACDMPI-UHFFFAOYSA-N |
| XLogP | 39.12 |
| TPSA | 194.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 216 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2799.50 |
| LogP ≤ 5 | 39.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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