C242H170N10Si2 — CID 160525425
N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[4-[3-[9-(4-triphenylsilylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane;9-(4-tritylphenyl)-3-[9-(4-tritylphenyl)carbazol-3-yl]carbazole (PubChem CID 160525425) has the molecular formula C242H170N10Si2 and a molecular weight of 3274.26 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[4-[3-[9-(4-triphenylsilylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane;9-(4-tritylphenyl)-3-[9-(4-tritylphenyl)carbazol-3-yl]carbazole.
| Compound Name | N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[4-[3-[9-(4-triphenylsilylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane;9-(4-tritylphenyl)-3-[9-(4-tritylphenyl)carbazol-3-yl]carbazole |
|---|---|
| PubChem CID | 160525425 |
| Molecular Formula | C242H170N10Si2 |
| Molecular Weight | 3274.26 g/mol |
| Exact Mass | 3271.31 |
| IUPAC Name | N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[4-[3-[9-(4-triphenylsilylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane;9-(4-tritylphenyl)-3-[9-(4-tritylphenyl)carbazol-3-yl]carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1 |
| InChI | InChI=1S/C74H52N2.C72H52N2Si2.C60H42N4.C36H24N2/c1-7-23-55(24-8-1)73(56-25-9-2-10-26-56,57-27-11-3-12-28-57)61-41-45-63(46-42-61)75-69-37-21-19-35-65(69)67-51-53(39-49-71(67)75)54-40-50-72-68(52-54)66-36-20-22-38-70(66)76(72)64-47-43-62(44-48-64)74(58-29-13-4-14-30-58,59-31-15-5-16-32-59)60-33-17-6-18-34-60;1-7-23-57(24-8-1)75(58-25-9-2-10-26-58,59-27-11-3-12-28-59)63-45-41-55(42-46-63)73-69-37-21-19-35-65(69)67-51-53(39-49-71(67)73)54-40-50-72-68(52-54)66-36-20-22-38-70(66)74(72)56-43-47-64(48-44-56)76(60-29-13-4-14-30-60,61-31-15-5-16-32-61)62-33-17-6-18-34-62;1-5-17-45(18-6-1)61(46-19-7-2-8-20-46)49-31-35-51(36-32-49)63-57-27-15-13-25-53(57)55-41-43(29-39-59(55)63)44-30-40-60-56(42-44)54-26-14-16-28-58(54)64(60)52-37-33-50(34-38-52)62(47-21-9-3-10-22-47)48-23-11-4-12-24-48;1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h2*1-52H;1-42H;1-24H |
| InChIKey | QUVAZDCGENRWBF-UHFFFAOYSA-N |
| XLogP | 56.65 |
| TPSA | 45.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 254 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3274.26 |
| LogP ≤ 5 | 56.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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