About 2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione
2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione (PubChem CID 165031574) has the molecular formula C128H55F7N18O12S12
and a molecular weight of 2554.75 g/mol. Its IUPAC name is 2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione.
Frequently Asked Questions
What is the IUPAC name of 2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione?
The IUPAC name of 2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione (CID 165031574) is 2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione.
What is the SMILES notation for 2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione?
The canonical SMILES for 2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione is Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1nc2c3nn(C)nc3c3nc(/C=C4\C(=O)C(=O)c5cc(C(F)(F)F)ccc54)sc3c2s1.Cn1nc2c(n1)c1nc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc1c1sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)nc21.Cn1nc2c(n1)c1nc(C=C3C(=S)c4ccccc4C3=S)sc1c1sc(C=C3C(=S)c4ccccc4C3=S)nc21.Cn1nc2c3cc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)sc3c3sc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)cc3c2n1.
What is the InChIKey of 2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione?
The InChIKey is MSUQDGAVLGRHBA-PCUMDXMLSA-N. The full InChI is InChI=1S/C37H17N5O4S2.C31H11F4N3O4S2.C31H14F3N5O4S2.C29H13N5S6/c1-42-40-28-29(41-42)31-37(48-27(39-31)15-25-34(45)22-12-18-8-4-5-9-19(18)13-23(22)35(25)46)36-30(28)38-26(47-36)14-24-32(43)20-10-16-6-2-3-7-17(16)11-21(20)33(24)44;1-38-36-24-16-2-10(4-18-26(39)12-6-20(32)21(33)7-13(12)27(18)40)43-30(16)31-17(25(24)37-38)3-11(44-31)5-19-28(41)14-8-22(34)23(35)9-15(14)29(19)42;1-11-3-5-13-15(7-11)25(40)27(42)17(13)9-19-35-23-21-22(38-39(2)37-21)24-30(29(23)44-19)45-20(36-24)10-18-14-6-4-12(31(32,33)34)8-16(14)26(41)28(18)43;1-34-32-20-21(33-34)23-29(40-19(31-23)11-17-26(37)14-8-4-5-9-15(14)27(17)38)28-22(20)30-18(39-28)10-16-24(35)12-6-2-3-7-13(12)25(16)36/h2-15H,1H3;2-9H,1H3;3-10H,1-2H3;2-11H,1H3/b;;17-9-,18-10-;.
What are the key properties of 2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione?
2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione has a molecular weight of 2554.75 g/mol, XLogP of 27.68, 8 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[14-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dithione;2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6-methylindene-1,2-dione is sourced from PubChem (CID 165031574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).