About 25-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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] (PubChem CID 158844299) has the molecular formula C248H146N8O2S6
and a molecular weight of 3462.35 g/mol. Its IUPAC name is 25-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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].
Frequently Asked Questions
What is the IUPAC name of 25-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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]?
The IUPAC name of 25-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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] (CID 158844299) is 25-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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].
What is the SMILES notation for 25-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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]?
The canonical SMILES for 25-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5cc6c(cc5c5ccc7ccccc7c54)Sc4ccccc4C64c5ccccc5-c5ccccc54)n3)cc2)cc1.c1ccc2c(c1)Sc1cc3c4ccc5ccccc5c4n(-c4ccc(-c5ccc6ccccc6c5)cc4)c3cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1cc3c4ccc5ccccc5c4n(-c4ccc5c(c4)oc4ccccc45)c3cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1cc3c4ccc5ccccc5c4n(-c4ccc5oc6ccccc6c5c4)c3cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1cc3c4ccc5ccccc5c4n(-c4ccc5sc6ccccc6c5c4)c3cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 25-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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]?
The InChIKey is IYQANDZVYGRQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4S.C51H31NS.2C47H27NOS.C47H27NS2/c1-3-15-35(16-4-1)36-27-29-39(30-28-36)54-57-53(38-18-5-2-6-19-38)58-55(59-54)60-49-34-48-51(33-44(49)43-32-31-37-17-7-8-20-40(37)52(43)60)61-50-26-14-13-25-47(50)56(48)45-23-11-9-21-41(45)42-22-10-12-24-46(42)56;1-2-13-35-29-36(22-21-32(35)11-1)33-23-26-37(27-24-33)52-47-31-46-49(30-42(47)41-28-25-34-12-3-4-14-38(34)50(41)52)53-48-20-10-9-19-45(48)51(46)43-17-7-5-15-39(43)40-16-6-8-18-44(40)51;1-2-12-30-28(11-1)21-23-35-36-26-45-40(27-41(36)48(46(30)35)29-22-24-34-33-15-5-9-19-42(33)49-43(34)25-29)47(39-18-8-10-20-44(39)50-45)37-16-6-3-13-31(37)32-14-4-7-17-38(32)47;2*1-2-12-30-28(11-1)21-23-34-35-26-45-40(27-41(35)48(46(30)34)29-22-24-43-36(25-29)33-15-5-9-19-42(33)49-43)47(39-18-8-10-20-44(39)50-45)37-16-6-3-13-31(37)32-14-4-7-17-38(32)47/h1-34H;1-31H;3*1-27H.
What are the key properties of 25-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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] has a molecular weight of 3462.35 g/mol, XLogP of 66.00, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 25-dibenzofuran-2-ylspiro[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-dibenzofuran-3-ylspiro[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-dibenzothiophen-2-ylspiro[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-naphthalen-2-ylphenyl)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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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] is sourced from PubChem (CID 158844299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).