C206H124N4O3S7 — CID 164992700
N-dibenzothiophen-2-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-2-amine;N-dibenzothiophen-3-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine (PubChem CID 164992700) has the molecular formula C206H124N4O3S7 and a molecular weight of 2927.75 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-2-amine;N-dibenzothiophen-3-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine.
| Compound Name | N-dibenzothiophen-2-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-2-amine;N-dibenzothiophen-3-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine |
|---|---|
| PubChem CID | 164992700 |
| Molecular Formula | C206H124N4O3S7 |
| Molecular Weight | 2927.75 g/mol |
| Exact Mass | 2924.77 |
| IUPAC Name | N-dibenzothiophen-2-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-2-amine;N-dibenzothiophen-3-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc5ccccc5cc3-4)cc2)cc1.c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)ccc2-c2c1ccc1ccccc21.c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4oc5ccccc5c4c3)c3ccc4sc5ccccc5c4c3)ccc2-c2c1ccc1ccccc21.c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)ccc2-c2c1ccc1ccccc21 |
| InChI | InChI=1S/3C53H31NOS2.C47H31NS/c1-2-14-34-32(13-1)27-30-42-50(34)39-29-28-33(31-43(39)53(42)40-19-5-9-25-48(40)56-49-26-10-6-20-41(49)53)54(44-21-11-17-37-35-15-3-7-23-46(35)55-51(37)44)45-22-12-18-38-36-16-4-8-24-47(36)57-52(38)45;1-2-12-36-32(11-1)21-28-44-52(36)41-27-24-33(29-45(41)53(44)42-15-5-9-19-49(42)57-50-20-10-6-16-43(50)53)54(34-22-25-38-37-13-3-7-17-46(37)55-47(38)30-34)35-23-26-40-39-14-4-8-18-48(39)56-51(40)31-35;1-2-12-36-32(11-1)21-26-44-52(36)39-25-22-35(31-45(39)53(44)42-15-5-9-19-50(42)57-51-20-10-6-16-43(51)53)54(33-23-27-47-40(29-33)37-13-3-7-17-46(37)55-47)34-24-28-49-41(30-34)38-14-4-8-18-48(38)56-49;1-3-13-32(14-4-1)33-23-25-37(26-24-33)48(36-17-5-2-6-18-36)38-27-28-39-40-29-34-15-7-8-16-35(34)30-43(40)47(44(39)31-38)41-19-9-11-21-45(41)49-46-22-12-10-20-42(46)47/h3*1-31H;1-31H |
| InChIKey | HBZIBEGWTZVKGG-UHFFFAOYSA-N |
| XLogP | 59.02 |
| TPSA | 52.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 220 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2927.75 |
| LogP ≤ 5 | 59.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |