C206H150N12Si3 — CID 159391301
[3-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (PubChem CID 159391301) has the molecular formula C206H150N12Si3 and a molecular weight of 2877.81 g/mol. Its IUPAC name is [3-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.
| Compound Name | [3-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane |
|---|---|
| PubChem CID | 159391301 |
| Molecular Formula | C206H150N12Si3 |
| Molecular Weight | 2877.81 g/mol |
| Exact Mass | 2875.14 |
| IUPAC Name | [3-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane |
| SMILES | Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)cc1.Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)c1 |
| InChI | InChI=1S/2C71H52N4Si.C64H46N4Si/c1-49-21-18-27-53(43-49)55-37-41-67-64(46-55)65-47-56(54-28-19-22-50(2)44-54)38-42-68(65)75(67)58-39-40-63(66(48-58)71-73-69(51-23-8-3-9-24-51)72-70(74-71)52-25-10-4-11-26-52)57-29-20-36-62(45-57)76(59-30-12-5-13-31-59,60-32-14-6-15-33-60)61-34-16-7-17-35-61;1-49-21-18-27-53(43-49)55-37-40-64-65-41-38-56(54-28-19-22-50(2)44-54)47-68(65)75(67(64)46-55)58-39-42-63(66(48-58)71-73-69(51-23-8-3-9-24-51)72-70(74-71)52-25-10-4-11-26-52)57-29-20-36-62(45-57)76(59-30-12-5-13-31-59,60-32-14-6-15-33-60)61-34-16-7-17-35-61;1-45-34-36-46(37-35-45)49-38-40-58-57-32-17-18-33-60(57)68(61(58)43-49)51-39-41-56(59(44-51)64-66-62(47-20-7-2-8-21-47)65-63(67-64)48-22-9-3-10-23-48)50-24-19-31-55(42-50)69(52-25-11-4-12-26-52,53-27-13-5-14-28-53)54-29-15-6-16-30-54/h2*3-48H,1-2H3;2-44H,1H3 |
| InChIKey | LMDMWZPCRBFEHA-UHFFFAOYSA-N |
| XLogP | 42.92 |
| TPSA | 130.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 221 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2877.81 |
| LogP ≤ 5 | 42.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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