C268H185F15N16Si4 — CID 159602449
[3-[3-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[3-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-triphenylsilane (PubChem CID 159602449) has the molecular formula C268H185F15N16Si4 and a molecular weight of 4026.85 g/mol. Its IUPAC name is [3-[3-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[3-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-triphenylsilane.
| Compound Name | [3-[3-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[3-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-triphenylsilane |
|---|---|
| PubChem CID | 159602449 |
| Molecular Formula | C268H185F15N16Si4 |
| Molecular Weight | 4026.85 g/mol |
| Exact Mass | 4023.38 |
| IUPAC Name | [3-[3-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[3-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-triphenylsilane |
| SMILES | Cc1cc(C(F)(F)F)ccc1-c1ccc2c3ccccc3n(-c3cc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4cc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.FC(F)(F)c1cc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C73H50F6N4Si.C65H42F6N4Si.C65H45F3N4Si.C65H48N4Si/c1-47-37-48(2)39-55(38-47)53-31-34-63-64-35-32-54(56-40-57(72(74,75)76)46-58(41-56)73(77,78)79)45-67(64)83(66(63)44-53)68-43-52(33-36-65(68)71-81-69(49-19-8-3-9-20-49)80-70(82-71)50-21-10-4-11-22-50)51-23-18-30-62(42-51)84(59-24-12-5-13-25-59,60-26-14-6-15-27-60)61-28-16-7-17-29-61;66-64(67,68)49-37-48(38-50(42-49)65(69,70)71)47-33-35-56-55-31-16-17-32-58(55)75(59(56)41-47)60-40-46(34-36-57(60)63-73-61(43-19-6-1-7-20-43)72-62(74-63)44-21-8-2-9-22-44)45-23-18-30-54(39-45)76(51-24-10-3-11-25-51,52-26-12-4-13-27-52)53-28-14-5-15-29-53;1-44-40-50(65(66,67)68)36-39-55(44)49-35-37-57-56-32-17-18-33-59(56)72(60(57)43-49)61-42-48(34-38-58(61)64-70-62(45-20-7-2-8-21-45)69-63(71-64)46-22-9-3-10-23-46)47-24-19-31-54(41-47)73(51-25-11-4-12-26-51,52-27-13-5-14-28-52)53-29-15-6-16-30-53;1-45-39-46(2)41-52(40-45)50-36-38-61-59(43-50)57-33-18-19-34-60(57)69(61)62-44-51(35-37-58(62)65-67-63(47-21-8-3-9-22-47)66-64(68-65)48-23-10-4-11-24-48)49-25-20-32-56(42-49)70(53-26-12-5-13-27-53,54-28-14-6-15-29-54)55-30-16-7-17-31-55/h3-46H,1-2H3;1-42H;2-43H,1H3;3-44H,1-2H3 |
| InChIKey | MLQRFAAXGOZXTB-UHFFFAOYSA-N |
| XLogP | 59.03 |
| TPSA | 174.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 303 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4026.85 |
| LogP ≤ 5 | 59.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |