About 25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene]
25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene] (PubChem CID 158443179) has the molecular formula C238H143FN12S5
and a molecular weight of 3350.18 g/mol. Its IUPAC name is 25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene].
Frequently Asked Questions
What is the IUPAC name of 25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene]?
The IUPAC name of 25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene] (CID 158443179) is 25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene].
What is the SMILES notation for 25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene]?
The canonical SMILES for 25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene] is Fc1ccc(-n2c3cc4c(cc3c3ccc5ccccc5c32)Sc2ccccc2C42c3ccccc3-c3ccccc32)cc1.c1ccc(-c2cc(-c3cccc(-n4c5cc6c(cc5c5ccc7ccccc7c54)Sc4ccccc4C64c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4cc5c(cc4c4ccc6ccccc6c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-n3c4cc5c(cc4c4ccc6ccccc6c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc3ncccc23)cc1.c1ccc(-n2c3cc4c(cc3c3ccc5ccccc5c32)Sc2ccccc2C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene]?
The InChIKey is HDBKMTHQVVIXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3S.C51H31N3S.C48H28N4S.C41H24FNS.C41H25NS/c1-3-17-37(18-4-1)50-35-51(59-56(58-50)38-19-5-2-6-20-38)39-21-15-22-40(32-39)60-52-34-49-54(33-45(52)44-31-30-36-16-7-8-23-41(36)55(44)60)61-53-29-14-13-28-48(53)57(49)46-26-11-9-24-42(46)43-25-10-12-27-47(43)57;1-3-16-33(17-4-1)44-31-48(53-50(52-44)34-18-5-2-6-19-34)54-45-30-43-47(29-39(45)38-28-27-32-15-7-8-20-35(32)49(38)54)55-46-26-14-13-25-42(46)51(43)40-23-11-9-21-36(40)37-22-10-12-24-41(37)51;1-2-14-30(15-3-1)44-35-19-12-26-49-46(35)51-47(50-44)52-41-28-40-43(27-36(41)34-25-24-29-13-4-5-16-31(29)45(34)52)53-42-23-11-10-22-39(42)48(40)37-20-8-6-17-32(37)33-18-7-9-21-38(33)48;42-26-18-20-27(21-19-26)43-37-24-36-39(23-32(37)31-22-17-25-9-1-2-10-28(25)40(31)43)44-38-16-8-7-15-35(38)41(36)33-13-5-3-11-29(33)30-12-4-6-14-34(30)41;1-2-13-27(14-3-1)42-37-25-36-39(24-32(37)31-23-22-26-12-4-5-15-28(26)40(31)42)43-38-21-11-10-20-35(38)41(36)33-18-8-6-16-29(33)30-17-7-9-19-34(30)41/h1-35H;1-31H;1-28H;1-24H;1-25H.
What are the key properties of 25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene]?
25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene] has a molecular weight of 3350.18 g/mol, XLogP of 60.88, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene] is sourced from PubChem (CID 158443179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).