C268H159FN4O11S — CID 167591365
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(7-fluorodibenzofuran-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-4'-amine;N-naphtho[1,2-b][1]benzofuran-6-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-4'-amine;N-naphtho[3,2-b][1]benzothiol-11-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 167591365) has the molecular formula C268H159FN4O11S and a molecular weight of 3662.30 g/mol. Its IUPAC name is N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(7-fluorodibenzofuran-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-4'-amine;N-naphtho[1,2-b][1]benzofuran-6-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-4'-amine;N-naphtho[3,2-b][1]benzothiol-11-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine.
| Compound Name | N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(7-fluorodibenzofuran-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-4'-amine;N-naphtho[1,2-b][1]benzofuran-6-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-4'-amine;N-naphtho[3,2-b][1]benzothiol-11-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine |
|---|---|
| PubChem CID | 167591365 |
| Molecular Formula | C268H159FN4O11S |
| Molecular Weight | 3662.30 g/mol |
| Exact Mass | 3659.17 |
| IUPAC Name | N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(7-fluorodibenzofuran-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-4'-amine;N-naphtho[1,2-b][1]benzofuran-6-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-4'-amine;N-naphtho[3,2-b][1]benzothiol-11-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine |
| SMILES | Fc1ccc2c(c1)oc1cccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c12.c1ccc2c(c1)Oc1ccc(N(c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1ccc(N(c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3c4ccccc4cc4sc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1ccc(N(c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c3cc4ccccc4c4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21 |
| InChI | InChI=1S/C74H45NO3.C66H39NO3.C66H39NO2S.C62H36FNO3/c1-6-23-57-52(17-1)53-18-2-7-24-58(53)73(57)61-27-10-13-31-66(61)77-68-44-43-50(45-63(68)73)75(49-41-39-47(40-42-49)46-35-37-48(38-36-46)51-22-15-33-69-71(51)56-21-5-12-30-65(56)76-69)64-29-16-34-70-72(64)74(62-28-11-14-32-67(62)78-70)59-25-8-3-19-54(59)55-20-4-9-26-60(55)74;1-2-19-42-40(18-1)38-57(62-47-24-7-14-33-58(47)69-63(42)62)67(41-36-37-61-55(39-41)66(52-29-12-15-34-59(52)68-61)50-27-10-5-22-45(50)46-23-6-11-28-51(46)66)56-32-17-31-54-64(56)70-60-35-16-13-30-53(60)65(54)48-25-8-3-20-43(48)44-21-4-9-26-49(44)65;1-2-19-42-40(18-1)38-61-62(47-24-7-16-35-60(47)70-61)64(42)67(41-36-37-58-54(39-41)65(52-29-12-14-32-56(52)68-58)48-25-8-3-20-43(48)44-21-4-9-26-49(44)65)55-31-17-34-59-63(55)66(53-30-13-15-33-57(53)69-59)50-27-10-5-22-45(50)46-23-6-11-28-51(46)66;63-37-31-33-43-58(35-37)66-57-30-14-26-52(59(43)57)64(38-32-34-56-51(36-38)62(48-23-9-11-28-54(48)65-56)46-21-7-3-17-41(46)42-18-4-8-22-47(42)62)53-27-13-25-50-60(53)67-55-29-12-10-24-49(55)61(50)44-19-5-1-15-39(44)40-16-2-6-20-45(40)61/h1-45H;2*1-39H;1-36H |
| InChIKey | IMCJPJFPINXPPL-UHFFFAOYSA-N |
| XLogP | 70.22 |
| TPSA | 126.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 285 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3662.30 |
| LogP ≤ 5 | 70.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |