2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione

C196H122F8O20S10 — CID 164978335

IUPAC2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione
SMILESCC1(C)C2=C(c3sc(/C=C4\C(=O)C(=O)c5c(F)cc(F)cc54)cc31)C(C)(C)c1cc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)sc12.CC1(C)C2=C(c3sc(/C=C4\C(=O)C(=O)c5ccccc54)cc31)C(C)(C)c1cc(/C=C3\C(=O)C(=O)c4ccccc43)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)cc31)C(C)(C)c1cc(C=C3C(=O)c4cc5cc(F)c(F)cc5cc4C3=O)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc31)C(C)(C)c1cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5ccccc5C4=O)cc31)C(C)(C)C1C=C(C=C3C(=O)c4ccccc4C3=O)SC21
InChIInChI=1S/C44H24F4O4S2.C44H28O4S2.C36H20F4O4S2.C36H24O4S2.C36H26O4S2/c1-43(2)29-15-21(13-27-37(49)23-5-17-9-31(45)32(46)10-18(17)6-24(23)38(27)50)53-41(29)36-35(43)42-30(44(36,3)4)16-22(54-42)14-28-39(51)25-7-19-11-33(47)34(48)12-20(19)8-26(25)40(28)52;1-43(2)33-19-25(17-31-37(45)27-13-21-9-5-6-10-22(21)14-28(27)38(31)46)49-41(33)36-35(43)42-34(44(36,3)4)20-26(50-42)18-32-39(47)29-15-23-11-7-8-12-24(23)16-30(29)40(32)48;1-35(2)21-11-15(9-19-17-5-13(37)7-23(39)25(17)31(43)29(19)41)45-33(21)28-27(35)34-22(36(28,3)4)12-16(46-34)10-20-18-6-14(38)8-24(40)26(18)32(44)30(20)42;1-35(2)25-15-17(13-23-19-9-5-7-11-21(19)29(37)31(23)39)41-33(25)28-27(35)34-26(36(28,3)4)16-18(42-34)14-24-20-10-6-8-12-22(20)30(38)32(24)40;1-35(2)25-15-17(13-23-29(37)19-9-5-6-10-20(19)30(23)38)41-33(25)28-27(35)34-26(36(28,3)4)16-18(42-34)14-24-31(39)21-11-7-8-12-22(21)32(24)40/h5-16H,1-4H3;5-20H,1-4H3;5-12H,1-4H3;5-16H,1-4H3;5-16,25,33H,1-4H3/b;;19-9-,20-10-;23-13-,24-14-;
InChIKeyFCOAUMYNBPEQQT-WZHXVVFVSA-N
MW3269.77 g/mol
LogP45.93
Rot. Bonds10

About 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione

2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione (PubChem CID 164978335) has the molecular formula C196H122F8O20S10 and a molecular weight of 3269.77 g/mol. Its IUPAC name is 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione
PubChem CID164978335
Molecular FormulaC196H122F8O20S10
Molecular Weight3269.77 g/mol
Exact Mass3266.56
IUPAC Name2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione
SMILESCC1(C)C2=C(c3sc(/C=C4\C(=O)C(=O)c5c(F)cc(F)cc54)cc31)C(C)(C)c1cc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)sc12.CC1(C)C2=C(c3sc(/C=C4\C(=O)C(=O)c5ccccc54)cc31)C(C)(C)c1cc(/C=C3\C(=O)C(=O)c4ccccc43)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)cc31)C(C)(C)c1cc(C=C3C(=O)c4cc5cc(F)c(F)cc5cc4C3=O)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc31)C(C)(C)c1cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5ccccc5C4=O)cc31)C(C)(C)C1C=C(C=C3C(=O)c4ccccc4C3=O)SC21
InChIInChI=1S/C44H24F4O4S2.C44H28O4S2.C36H20F4O4S2.C36H24O4S2.C36H26O4S2/c1-43(2)29-15-21(13-27-37(49)23-5-17-9-31(45)32(46)10-18(17)6-24(23)38(27)50)53-41(29)36-35(43)42-30(44(36,3)4)16-22(54-42)14-28-39(51)25-7-19-11-33(47)34(48)12-20(19)8-26(25)40(28)52;1-43(2)33-19-25(17-31-37(45)27-13-21-9-5-6-10-22(21)14-28(27)38(31)46)49-41(33)36-35(43)42-34(44(36,3)4)20-26(50-42)18-32-39(47)29-15-23-11-7-8-12-24(23)16-30(29)40(32)48;1-35(2)21-11-15(9-19-17-5-13(37)7-23(39)25(17)31(43)29(19)41)45-33(21)28-27(35)34-22(36(28,3)4)12-16(46-34)10-20-18-6-14(38)8-24(40)26(18)32(44)30(20)42;1-35(2)25-15-17(13-23-19-9-5-7-11-21(19)29(37)31(23)39)41-33(25)28-27(35)34-26(36(28,3)4)16-18(42-34)14-24-20-10-6-8-12-22(20)30(38)32(24)40;1-35(2)25-15-17(13-23-29(37)19-9-5-6-10-20(19)30(23)38)41-33(25)28-27(35)34-26(36(28,3)4)16-18(42-34)14-24-31(39)21-11-7-8-12-22(21)32(24)40/h5-16H,1-4H3;5-20H,1-4H3;5-12H,1-4H3;5-16H,1-4H3;5-16,25,33H,1-4H3/b;;19-9-,20-10-;23-13-,24-14-;
InChIKeyFCOAUMYNBPEQQT-WZHXVVFVSA-N
XLogP45.93
TPSA341.40 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms234
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003269.77
LogP ≤ 545.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione (CID 164978335) is 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione is CC1(C)C2=C(c3sc(/C=C4\C(=O)C(=O)c5c(F)cc(F)cc54)cc31)C(C)(C)c1cc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)sc12.CC1(C)C2=C(c3sc(/C=C4\C(=O)C(=O)c5ccccc54)cc31)C(C)(C)c1cc(/C=C3\C(=O)C(=O)c4ccccc43)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)cc31)C(C)(C)c1cc(C=C3C(=O)c4cc5cc(F)c(F)cc5cc4C3=O)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc31)C(C)(C)c1cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5ccccc5C4=O)cc31)C(C)(C)C1C=C(C=C3C(=O)c4ccccc4C3=O)SC21.
What is the InChIKey of 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione?
The InChIKey is FCOAUMYNBPEQQT-WZHXVVFVSA-N. The full InChI is InChI=1S/C44H24F4O4S2.C44H28O4S2.C36H20F4O4S2.C36H24O4S2.C36H26O4S2/c1-43(2)29-15-21(13-27-37(49)23-5-17-9-31(45)32(46)10-18(17)6-24(23)38(27)50)53-41(29)36-35(43)42-30(44(36,3)4)16-22(54-42)14-28-39(51)25-7-19-11-33(47)34(48)12-20(19)8-26(25)40(28)52;1-43(2)33-19-25(17-31-37(45)27-13-21-9-5-6-10-22(21)14-28(27)38(31)46)49-41(33)36-35(43)42-34(44(36,3)4)20-26(50-42)18-32-39(47)29-15-23-11-7-8-12-24(23)16-30(29)40(32)48;1-35(2)21-11-15(9-19-17-5-13(37)7-23(39)25(17)31(43)29(19)41)45-33(21)28-27(35)34-22(36(28,3)4)12-16(46-34)10-20-18-6-14(38)8-24(40)26(18)32(44)30(20)42;1-35(2)25-15-17(13-23-19-9-5-7-11-21(19)29(37)31(23)39)41-33(25)28-27(35)34-26(36(28,3)4)16-18(42-34)14-24-20-10-6-8-12-22(20)30(38)32(24)40;1-35(2)25-15-17(13-23-29(37)19-9-5-6-10-20(19)30(23)38)41-33(25)28-27(35)34-26(36(28,3)4)16-18(42-34)14-24-31(39)21-11-7-8-12-22(21)32(24)40/h5-16H,1-4H3;5-20H,1-4H3;5-12H,1-4H3;5-16H,1-4H3;5-16,25,33H,1-4H3/b;;19-9-,20-10-;23-13-,24-14-;.
What are the key properties of 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione?
2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione has a molecular weight of 3269.77 g/mol, XLogP of 45.93, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[11-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,2-dione;2-[[11-[(1,3-dioxoinden-2-ylidene)methyl]-7,7,14,14-tetramethyl-3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),4,9(13),11-tetraen-4-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 164978335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).