C248H164FN5O7Si2 — CID 159100977
[4-[4-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-triphenylsilane;9-dibenzofuran-2-yl-3-[3-[3-[4-[3-(3-methoxyphenyl)phenyl]phenyl]phenyl]carbazol-9-yl]carbazole;[9-[3-[8-[3-[3-(3-fluorophenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;9-[8-[8-[3-[4-(4-methoxyphenyl)phenyl]phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-3-phenylcarbazole (PubChem CID 159100977) has the molecular formula C248H164FN5O7Si2 and a molecular weight of 3401.24 g/mol. Its IUPAC name is [4-[4-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-triphenylsilane;9-dibenzofuran-2-yl-3-[3-[3-[4-[3-(3-methoxyphenyl)phenyl]phenyl]phenyl]carbazol-9-yl]carbazole;[9-[3-[8-[3-[3-(3-fluorophenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;9-[8-[8-[3-[4-(4-methoxyphenyl)phenyl]phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-3-phenylcarbazole.
| Compound Name | [4-[4-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-triphenylsilane;9-dibenzofuran-2-yl-3-[3-[3-[4-[3-(3-methoxyphenyl)phenyl]phenyl]phenyl]carbazol-9-yl]carbazole;[9-[3-[8-[3-[3-(3-fluorophenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;9-[8-[8-[3-[4-(4-methoxyphenyl)phenyl]phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-3-phenylcarbazole |
|---|---|
| PubChem CID | 159100977 |
| Molecular Formula | C248H164FN5O7Si2 |
| Molecular Weight | 3401.24 g/mol |
| Exact Mass | 3398.22 |
| IUPAC Name | [4-[4-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-triphenylsilane;9-dibenzofuran-2-yl-3-[3-[3-[4-[3-(3-methoxyphenyl)phenyl]phenyl]phenyl]carbazol-9-yl]carbazole;[9-[3-[8-[3-[3-(3-fluorophenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;9-[8-[8-[3-[4-(4-methoxyphenyl)phenyl]phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-3-phenylcarbazole |
| SMILES | COc1ccc(-c2ccc(-c3cccc(-c4ccc5oc6ccc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11cc(-c%12ccccc%12)ccc%11%10)cc9c8c7)cc6c5c4)c3)cc2)cc1.COc1cccc(-c2cccc(-c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)c4)cc3)c2)c1.Fc1cccc(-c2cccc(-c3cccc(-c4ccc5oc6c(-c7cccc(-n8c9ccccc9c9cc([Si](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)ccc98)c7)cccc6c5c4)c3)c2)c1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-c4cccc(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)c4)cc3)cc2)cc1 |
| InChI | InChI=1S/C66H44FNOSi.C61H40N2O2.C61H39NO3.C60H41NOSi/c67-52-23-14-21-49(41-52)47-19-12-17-45(39-47)46-18-13-20-48(40-46)50-35-38-65-62(43-50)60-33-16-32-58(66(60)69-65)51-22-15-24-53(42-51)68-63-34-11-10-31-59(63)61-44-57(36-37-64(61)68)70(54-25-4-1-5-26-54,55-27-6-2-7-28-55)56-29-8-3-9-30-56;1-64-49-16-10-15-45(35-49)43-13-8-11-41(33-43)39-23-25-40(26-24-39)42-12-9-14-44(34-42)46-27-30-58-53(36-46)50-17-2-5-20-56(50)62(58)47-28-31-59-54(37-47)51-18-3-6-21-57(51)63(59)48-29-32-61-55(38-48)52-19-4-7-22-60(52)65-61;1-63-49-25-18-40(19-26-49)39-14-16-41(17-15-39)42-10-7-11-43(32-42)45-21-28-58-52(34-45)53-35-46(22-29-59(53)64-58)47-23-30-60-54(36-47)55-37-48(24-31-61(55)65-60)62-56-13-6-5-12-50(56)51-33-44(20-27-57(51)62)38-8-3-2-4-9-38;1-4-18-48(19-5-1)63(49-20-6-2-7-21-49,50-22-8-3-9-23-50)51-37-34-43(35-38-51)42-30-32-44(33-31-42)45-16-14-17-46(40-45)47-36-39-59-55(41-47)54-26-15-29-58(60(54)62-59)61-56-27-12-10-24-52(56)53-25-11-13-28-57(53)61/h1-44H;2-38H,1H3;2-37H,1H3;1-41H |
| InChIKey | KDGVCZWTIQNRMV-UHFFFAOYSA-N |
| XLogP | 61.31 |
| TPSA | 108.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 263 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3401.24 |
| LogP ≤ 5 | 61.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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