C244H156N8O3S3 — CID 158402025
4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine (PubChem CID 158402025) has the molecular formula C244H156N8O3S3 and a molecular weight of 3344.19 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine.
| Compound Name | 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine |
|---|---|
| PubChem CID | 158402025 |
| Molecular Formula | C244H156N8O3S3 |
| Molecular Weight | 3344.19 g/mol |
| Exact Mass | 3341.15 |
| IUPAC Name | 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine |
| SMILES | c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cccc43)c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cccc32)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cccc32)c2ccc3sc4ccccc4c3c2)cc1 |
| InChI | InChI=1S/C61H38N2O2.C61H38N2OS.2C61H40N2S/c1-3-16-39(17-4-1)62(41-31-34-58-49(36-41)46-21-9-13-28-56(46)64-58)43-30-33-45-44-20-7-11-24-51(44)61(54(45)38-43)52-25-12-8-23-48(52)60-53(61)26-15-27-55(60)63(40-18-5-2-6-19-40)42-32-35-59-50(37-42)47-22-10-14-29-57(47)65-59;1-3-16-39(17-4-1)62(41-32-35-59-50(37-41)47-22-10-14-29-58(47)65-59)43-30-33-45-44-20-7-11-24-51(44)61(54(45)38-43)52-25-12-8-23-48(52)60-53(61)26-15-27-55(60)63(40-18-5-2-6-19-40)42-31-34-57-49(36-42)46-21-9-13-28-56(46)64-57;1-4-18-41(19-5-1)42-20-16-25-45(38-42)62(43-21-6-2-7-22-43)47-34-36-49-48-26-10-13-29-53(48)61(56(49)40-47)54-30-14-11-28-51(54)60-55(61)31-17-32-57(60)63(44-23-8-3-9-24-44)46-35-37-59-52(39-46)50-27-12-15-33-58(50)64-59;1-4-17-41(18-5-1)42-31-33-45(34-32-42)62(43-19-6-2-7-20-43)47-35-37-49-48-23-10-13-26-53(48)61(56(49)40-47)54-27-14-11-25-51(54)60-55(61)28-16-29-57(60)63(44-21-8-3-9-22-44)46-36-38-59-52(39-46)50-24-12-15-30-58(50)64-59/h2*1-38H;2*1-40H |
| InChIKey | GYFKDWIIOZOLIG-UHFFFAOYSA-N |
| XLogP | 68.01 |
| TPSA | 65.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 258 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3344.19 |
| LogP ≤ 5 | 68.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |