C165H126N6Si3 — CID 160503195
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline (PubChem CID 160503195) has the molecular formula C165H126N6Si3 and a molecular weight of 2277.12 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline.
| Compound Name | N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline |
|---|---|
| PubChem CID | 160503195 |
| Molecular Formula | C165H126N6Si3 |
| Molecular Weight | 2277.12 g/mol |
| Exact Mass | 2274.94 |
| IUPAC Name | N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline |
| SMILES | C[Si](C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1 |
| InChI | InChI=1S/C66H48N2Si.C54H40N2Si.C45H38N2Si/c1-5-17-49(18-6-1)50-29-39-55(40-30-50)67(56-41-31-51(32-42-56)52-35-45-58(46-36-52)68-65-27-15-13-25-63(65)64-26-14-16-28-66(64)68)57-43-33-53(34-44-57)54-37-47-62(48-38-54)69(59-19-7-2-8-20-59,60-21-9-3-10-22-60)61-23-11-4-12-24-61;1-5-17-41(18-6-1)42-29-31-43(32-30-42)55(44-33-35-46(36-34-44)56-53-27-15-13-25-51(53)52-26-14-16-28-54(52)56)45-37-39-50(40-38-45)57(47-19-7-2-8-20-47,48-21-9-3-10-22-48)49-23-11-4-12-24-49;1-48(2,3)41-31-21-36(22-32-41)35-19-25-38(26-20-35)46(37-23-17-34(18-24-37)33-11-5-4-6-12-33)39-27-29-40(30-28-39)47-44-15-9-7-13-42(44)43-14-8-10-16-45(43)47/h1-48H;1-40H;4-32H,1-3H3 |
| InChIKey | QSBCODZGKASYCB-UHFFFAOYSA-N |
| XLogP | 38.06 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 174 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2277.12 |
| LogP ≤ 5 | 38.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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