C170H124N2S2Si — CID 158739465
(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole (PubChem CID 158739465) has the molecular formula C170H124N2S2Si and a molecular weight of 2287.10 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole.
| Compound Name | (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole |
|---|---|
| PubChem CID | 158739465 |
| Molecular Formula | C170H124N2S2Si |
| Molecular Weight | 2287.10 g/mol |
| Exact Mass | 2284.90 |
| IUPAC Name | (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole |
| SMILES | C.C.C.C.c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1 |
| InChI | InChI=1S/C42H29NSSi.C42H27N.C42H26S.C40H26.4CH4/c1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43;1-2-14-35-33(12-1)34-13-3-4-15-36(34)40-27-31(22-25-37(35)40)30-11-9-10-29(26-30)28-20-23-32(24-21-28)43-41-18-7-5-16-38(41)39-17-6-8-19-42(39)43;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;;;;/h1-29H;1-27H;1-26H;1-26H;4*1H4 |
| InChIKey | IMCJBWCFWGIJSD-UHFFFAOYSA-N |
| XLogP | 46.47 |
| TPSA | 9.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 175 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2287.10 |
| LogP ≤ 5 | 46.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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