C264H160N4O5S6 — CID 161249951
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 161249951) has the molecular formula C264H160N4O5S6 and a molecular weight of 3660.61 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine.
| Compound Name | N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine |
|---|---|
| PubChem CID | 161249951 |
| Molecular Formula | C264H160N4O5S6 |
| Molecular Weight | 3660.61 g/mol |
| Exact Mass | 3657.07 |
| IUPAC Name | N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine |
| SMILES | c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4ccccc34)ccc21 |
| InChI | InChI=1S/C68H41NO2S.2C68H41NOS2.C60H37NOS/c1-4-20-52-47(16-1)49-38-36-45(41-59(49)68(52)57-24-8-13-30-64(57)72-65-31-14-9-25-58(65)68)69(43-34-32-42(33-35-43)46-19-15-29-63-66(46)50-18-3-10-26-60(50)70-63)44-37-39-54-51(40-44)48-17-2-5-21-53(48)67(54)55-22-6-11-27-61(55)71-62-28-12-7-23-56(62)67;1-4-20-52-47(16-1)49-38-36-45(41-59(49)68(52)57-24-8-13-29-63(57)72-64-30-14-9-25-58(64)68)69(43-34-32-42(33-35-43)46-19-15-31-65-66(46)50-18-3-12-28-62(50)71-65)44-37-39-54-51(40-44)48-17-2-5-21-53(48)67(54)55-22-6-10-26-60(55)70-61-27-11-7-23-56(61)67;1-4-18-53-47(15-1)49-37-34-46(41-60(49)68(53)58-22-8-13-27-64(58)72-65-28-14-9-23-59(65)68)69(44-32-29-42(30-33-44)43-31-36-51-50-17-3-12-26-63(50)71-66(51)39-43)45-35-38-55-52(40-45)48-16-2-5-19-54(48)67(55)56-20-6-10-24-61(56)70-62-25-11-7-21-57(62)67;1-2-18-41-38(16-1)17-15-27-54(41)61(39-33-35-48-45(36-39)43-20-4-6-22-47(43)59(48)49-23-7-11-28-55(49)62-56-29-12-8-24-50(56)59)40-32-34-44-42-19-3-5-21-46(42)60(53(44)37-40)51-25-9-13-30-57(51)63-58-31-14-10-26-52(58)60/h3*1-41H;1-37H |
| InChIKey | VBDGVLBPSGWFAP-UHFFFAOYSA-N |
| XLogP | 70.60 |
| TPSA | 63.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 279 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3660.61 |
| LogP ≤ 5 | 70.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |