About 11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide
11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide (PubChem CID 158359150) has the molecular formula C212H132N12O8S4
and a molecular weight of 3103.73 g/mol. Its IUPAC name is 11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide.
Frequently Asked Questions
What is the IUPAC name of 11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide?
The IUPAC name of 11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide (CID 158359150) is 11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide.
What is the SMILES notation for 11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide?
The canonical SMILES for 11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide is O=S1(=O)c2ccccc2C2(c3ccccc3-c3ccccc3-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6cccnc6)nc5)n4)cc32)c2ccc3ccccc3c21.O=S1(=O)c2ccccc2C2(c3ccccc3-c3ccccc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6cccnc6)cc5)n4)cc32)c2ccc3ccccc3c21.O=S1(=O)c2ccccc2C2(c3ccccc3-c3ccccc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc32)c2ccc3ccccc3c21.O=S1(=O)c2ccccc2C2(c3ccccc3-c3ccccc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccnc5)n4)cc32)c2ccc3ccccc3c21.
What is the InChIKey of 11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide?
The InChIKey is GTGGSRQUHLOPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O2S.C55H34N4O2S.C51H32N2O2S.C50H31N3O2S/c60-62(61)53-23-11-10-22-48(53)56(49-31-29-37-13-4-5-17-42(37)54(49)62)47-21-9-8-20-45(47)43-18-6-7-19-44(43)46-30-28-40(33-50(46)56)55-58-51(38-14-2-1-3-15-38)34-52(59-55)39-26-24-36(25-27-39)41-16-12-32-57-35-41;60-62(61)52-23-11-10-22-46(52)55(47-28-25-35-13-4-5-17-40(35)53(47)62)45-21-9-8-20-43(45)41-18-6-7-19-42(41)44-27-24-37(31-48(44)55)51-32-50(36-14-2-1-3-15-36)58-54(59-51)39-26-29-49(57-34-39)38-16-12-30-56-33-38;54-56(55)48-26-14-13-25-43(48)51(44-30-28-33-15-7-8-20-37(33)49(44)56)42-24-12-11-23-40(42)38-21-9-10-22-39(38)41-29-27-36(31-45(41)51)50-52-46(34-16-3-1-4-17-34)32-47(53-50)35-18-5-2-6-19-35;54-56(55)47-23-11-10-22-42(47)50(43-27-25-32-13-4-5-17-36(32)48(43)56)41-21-9-8-20-39(41)37-18-6-7-19-38(37)40-26-24-34(29-44(40)50)49-52-45(33-14-2-1-3-15-33)30-46(53-49)35-16-12-28-51-31-35/h1-35H;1-34H;1-32H;1-31H.
What are the key properties of 11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide?
11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide has a molecular weight of 3103.73 g/mol, XLogP of 48.14, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-(4,6-diphenylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)spiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide is sourced from PubChem (CID 158359150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).