About 4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide (PubChem CID 159254972) has the molecular formula C151H99N11O8S4
and a molecular weight of 2323.79 g/mol. Its IUPAC name is 4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide.
Frequently Asked Questions
What is the IUPAC name of 4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?
The IUPAC name of 4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide (CID 159254972) is 4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide.
What is the SMILES notation for 4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?
The canonical SMILES for 4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide is CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4ccc(C#N)cc4)c4ccccc24)ccc1S3(=O)=O.CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4ccc5c(ccc6ccccc65)c4)c4ccccc24)ccc1S3(=O)=O.CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4cccc5cccnc45)c4ccccc24)ccc1S3(=O)=O.CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4cccnc4)c4ccccc24)ccc1S3(=O)=O.
What is the InChIKey of 4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?
The InChIKey is KVTVMSFCRIBXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2S.C38H25N3O2S.C36H23N3O2S.C34H23N3O2S/c1-2-40-44-36-16-9-17-39-43(36)45(40)37-25-29(21-23-38(37)48(39,46)47)42-34-14-7-5-12-32(34)41(33-13-6-8-15-35(33)42)28-20-22-31-27(24-28)19-18-26-10-3-4-11-30(26)31;1-2-34-40-30-17-8-18-33-38(30)41(34)31-22-24(19-20-32(31)44(33,42)43)35-25-12-3-5-14-27(25)36(28-15-6-4-13-26(28)35)29-16-7-10-23-11-9-21-39-37(23)29;1-2-33-38-29-12-7-13-32-36(29)39(33)30-20-24(18-19-31(30)42(32,40)41)35-27-10-5-3-8-25(27)34(26-9-4-6-11-28(26)35)23-16-14-22(21-37)15-17-23;1-2-31-36-27-14-7-15-30-34(27)37(31)28-19-21(16-17-29(28)40(30,38)39)32-23-10-3-5-12-25(23)33(22-9-8-18-35-20-22)26-13-6-4-11-24(26)32/h3-25H,2H2,1H3;3-22H,2H2,1H3;3-20H,2H2,1H3;3-20H,2H2,1H3.
What are the key properties of 4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?
4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide has a molecular weight of 2323.79 g/mol, XLogP of 35.62, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]benzonitrile;15-ethyl-4-(10-phenanthren-2-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-4-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide is sourced from PubChem (CID 159254972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).