C153H115N9O3Si2 — CID 157135104
3-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(4-carbazol-9-ylphenyl)-6-methoxycarbazol-3-yl]-6-methoxy-9-phenylcarbazole;[9-(4-carbazol-9-ylphenyl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]-trimethylsilane (PubChem CID 157135104) has the molecular formula C153H115N9O3Si2 and a molecular weight of 2183.83 g/mol. Its IUPAC name is 3-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(4-carbazol-9-ylphenyl)-6-methoxycarbazol-3-yl]-6-methoxy-9-phenylcarbazole;[9-(4-carbazol-9-ylphenyl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]-trimethylsilane.
| Compound Name | 3-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(4-carbazol-9-ylphenyl)-6-methoxycarbazol-3-yl]-6-methoxy-9-phenylcarbazole;[9-(4-carbazol-9-ylphenyl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]-trimethylsilane |
|---|---|
| PubChem CID | 157135104 |
| Molecular Formula | C153H115N9O3Si2 |
| Molecular Weight | 2183.83 g/mol |
| Exact Mass | 2181.87 |
| IUPAC Name | 3-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(4-carbazol-9-ylphenyl)-6-methoxycarbazol-3-yl]-6-methoxy-9-phenylcarbazole;[9-(4-carbazol-9-ylphenyl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]-trimethylsilane |
| SMILES | COc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1.COc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(OC)ccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1ccccc1.C[Si](C)(C)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc([Si](C)(C)C)ccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1ccccc1 |
| InChI | InChI=1S/C54H47N3Si2.C50H35N3O2.C49H33N3O/c1-58(2,3)41-26-30-53-47(34-41)45-32-36(20-28-51(45)55(53)38-14-8-7-9-15-38)37-21-29-52-46(33-37)48-35-42(59(4,5)6)27-31-54(48)57(52)40-24-22-39(23-25-40)56-49-18-12-10-16-43(49)44-17-11-13-19-50(44)56;1-54-37-22-26-49-43(30-37)41-28-32(16-24-47(41)51(49)34-10-4-3-5-11-34)33-17-25-48-42(29-33)44-31-38(55-2)23-27-50(44)53(48)36-20-18-35(19-21-36)52-45-14-8-6-12-39(45)40-13-7-9-15-46(40)52;1-53-37-26-24-36(25-27-37)52-47-17-9-5-13-41(47)43-31-33(19-29-49(43)52)32-18-28-48-42(30-32)40-12-4-8-16-46(40)51(48)35-22-20-34(21-23-35)50-44-14-6-2-10-38(44)39-11-3-7-15-45(39)50/h7-35H,1-6H3;3-31H,1-2H3;2-31H,1H3 |
| InChIKey | AJNKIKVFKTXUIL-UHFFFAOYSA-N |
| XLogP | 39.05 |
| TPSA | 72.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2183.83 |
| LogP ≤ 5 | 39.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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