(2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione

C244H157F7N24O34S12 — CID 165023394

About (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione

(2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione (PubChem CID 165023394) has the molecular formula C244H157F7N24O34S12 and a molecular weight of 4486.86 g/mol. Its IUPAC name is (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione.

Molecular Properties

• Compound Name: (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione
• PubChem CID: 165023394
• Molecular Formula: C244H157F7N24O34S12
• Molecular Weight: 4486.86 g/mol
• Exact Mass: 4482.78
• IUPAC Name: (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione
• SMILES: CC1(C)Oc2nc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)sc2-c2cc3c(cc21)-c1sc(/C=C2\C(=O)C(=O)c4c(F)cc(F)cc42)nc1OC3(C)C.CC1(C)Oc2nc(/C=C3\C(=O)C(=O)c4ccccc43)sc2-c2cc3c(cc21)-c1sc(/C=C2\C(=O)C(=O)c4ccccc42)nc1OC3(C)C.CC1(C)Oc2nc(C=C3C(=O)c4cc(C#N)c(C#N)cc4C3=O)sc2-c2cc3c(cc21)-c1sc(C=C2C(=O)c4cc(C#N)c(C#N)cc4C2=O)nc1OC3(C)C.CC1(C)Oc2nc(N=C3C(=O)C4CC5CCCCC5CC4C3=O)sc2-c2cc3c(cc21)-c1sc(N=C2C(=O)C4CC5CCCCC5CC4C2=O)nc1OC3(C)C.Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1nc2c(s1)-c1cc3c(cc1C(C)(C)O2)-c1sc(/C=C2\C(=O)C(=O)c4cc(C(F)(F)F)ccc42)nc1OC3(C)C.[C-]#[N+]C(C#N)=C1C(=Nc2nc3c(s2)-c2cc4c(cc2C(C)(C)O3)-c2sc(N=C3C(=O)c5ccccc5/C3=C(/C#N)[N+]#[C-])nc2OC4(C)C)C(=O)c2ccccc21
• InChI: InChI=1S/C44H46N4O6S2.C42H22N8O4S2.C42H20N6O6S2.C40H25F3N2O6S2.C38H20F4N2O6S2.C38H24N2O6S2/c1-43(2)29-17-28-30(18-27(29)37-39(53-43)47-41(55-37)45-31-33(49)23-13-19-9-5-6-10-20(19)14-24(23)34(31)50)44(3,4)54-40-38(28)56-42(48-40)46-32-35(51)25-15-21-11-7-8-12-22(21)16-26(25)36(32)52;1-41(2)25-15-24-26(16-23(25)35-37(53-41)49-39(55-35)47-31-29(27(17-43)45-5)19-11-7-9-13-21(19)33(31)51)42(3,4)54-38-36(24)56-40(50-38)48-32-30(28(18-44)46-6)20-12-8-10-14-22(20)34(32)52;1-41(2)29-9-26-30(10-25(29)37-39(53-41)47-31(55-37)11-27-33(49)21-5-17(13-43)18(14-44)6-22(21)34(27)50)42(3,4)54-40-38(26)56-32(48-40)12-28-35(51)23-7-19(15-45)20(16-46)8-24(23)36(28)52;1-16-6-8-18-20(10-16)30(46)32(48)22(18)14-28-44-36-34(52-28)24-12-27-25(13-26(24)38(2,3)50-36)35-37(51-39(27,4)5)45-29(53-35)15-23-19-9-7-17(40(41,42)43)11-21(19)31(47)33(23)49;1-37(2)21-9-20-22(10-19(21)33-35(49-37)43-25(51-33)11-17-15-5-13(39)7-23(41)27(15)31(47)29(17)45)38(3,4)50-36-34(20)52-26(44-36)12-18-16-6-14(40)8-24(42)28(16)32(48)30(18)46;1-37(2)25-13-24-26(14-23(25)33-35(45-37)39-27(47-33)15-21-17-9-5-7-11-19(17)29(41)31(21)43)38(3,4)46-36-34(24)48-28(40-36)16-22-18-10-6-8-12-20(18)30(42)32(22)44/h17-26H,5-16H2,1-4H3;7-16H,1-4H3;5-12H,1-4H3;6-15H,1-5H3;5-12H,1-4H3;5-16H,1-4H3/b;29-27+,30-28?,47-31?,48-32?;;22-14-,23-15-;17-11-,18-12-;21-15-,22-16-
• InChIKey: NWUYGFOQFFIBIO-MFIGSUESSA-N
• XLogP: 51.62
• TPSA: 841.88 Ų
• H-Bond Acceptors: 68
• Rotatable Bonds: 12
• Heavy Atoms: 321
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4486.86
LogP ≤ 5	51.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	68

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione?

The IUPAC name of (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione (CID 165023394) is (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione.

What is the SMILES notation for (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione?

The canonical SMILES for (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione is CC1(C)Oc2nc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)sc2-c2cc3c(cc21)-c1sc(/C=C2\C(=O)C(=O)c4c(F)cc(F)cc42)nc1OC3(C)C.CC1(C)Oc2nc(/C=C3\C(=O)C(=O)c4ccccc43)sc2-c2cc3c(cc21)-c1sc(/C=C2\C(=O)C(=O)c4ccccc42)nc1OC3(C)C.CC1(C)Oc2nc(C=C3C(=O)c4cc(C#N)c(C#N)cc4C3=O)sc2-c2cc3c(cc21)-c1sc(C=C2C(=O)c4cc(C#N)c(C#N)cc4C2=O)nc1OC3(C)C.CC1(C)Oc2nc(N=C3C(=O)C4CC5CCCCC5CC4C3=O)sc2-c2cc3c(cc21)-c1sc(N=C2C(=O)C4CC5CCCCC5CC4C2=O)nc1OC3(C)C.Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1nc2c(s1)-c1cc3c(cc1C(C)(C)O2)-c1sc(/C=C2\C(=O)C(=O)c4cc(C(F)(F)F)ccc42)nc1OC3(C)C.[C-]#[N+]C(C#N)=C1C(=Nc2nc3c(s2)-c2cc4c(cc2C(C)(C)O3)-c2sc(N=C3C(=O)c5ccccc5/C3=C(/C#N)[N+]#[C-])nc2OC4(C)C)C(=O)c2ccccc21.

What is the InChIKey of (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione?

The InChIKey is NWUYGFOQFFIBIO-MFIGSUESSA-N. The full InChI is InChI=1S/C44H46N4O6S2.C42H22N8O4S2.C42H20N6O6S2.C40H25F3N2O6S2.C38H20F4N2O6S2.C38H24N2O6S2/c1-43(2)29-17-28-30(18-27(29)37-39(53-43)47-41(55-37)45-31-33(49)23-13-19-9-5-6-10-20(19)14-24(23)34(31)50)44(3,4)54-40-38(28)56-42(48-40)46-32-35(51)25-15-21-11-7-8-12-22(21)16-26(25)36(32)52;1-41(2)25-15-24-26(16-23(25)35-37(53-41)49-39(55-35)47-31-29(27(17-43)45-5)19-11-7-9-13-21(19)33(31)51)42(3,4)54-38-36(24)56-40(50-38)48-32-30(28(18-44)46-6)20-12-8-10-14-22(20)34(32)52;1-41(2)29-9-26-30(10-25(29)37-39(53-41)47-31(55-37)11-27-33(49)21-5-17(13-43)18(14-44)6-22(21)34(27)50)42(3,4)54-40-38(26)56-32(48-40)12-28-35(51)23-7-19(15-45)20(16-46)8-24(23)36(28)52;1-16-6-8-18-20(10-16)30(46)32(48)22(18)14-28-44-36-34(52-28)24-12-27-25(13-26(24)38(2,3)50-36)35-37(51-39(27,4)5)45-29(53-35)15-23-19-9-7-17(40(41,42)43)11-21(19)31(47)33(23)49;1-37(2)21-9-20-22(10-19(21)33-35(49-37)43-25(51-33)11-17-15-5-13(39)7-23(41)27(15)31(47)29(17)45)38(3,4)50-36-34(20)52-26(44-36)12-18-16-6-14(40)8-24(42)28(16)32(48)30(18)46;1-37(2)25-13-24-26(14-23(25)33-35(45-37)39-27(47-33)15-21-17-9-5-7-11-19(17)29(41)31(21)43)38(3,4)46-36-34(24)48-28(40-36)16-22-18-10-6-8-12-20(18)30(42)32(22)44/h17-26H,5-16H2,1-4H3;7-16H,1-4H3;5-12H,1-4H3;6-15H,1-5H3;5-12H,1-4H3;5-16H,1-4H3/b;29-27+,30-28?,47-31?,48-32?;;22-14-,23-15-;17-11-,18-12-;21-15-,22-16-.

What are the key properties of (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione?

(2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione has a molecular weight of 4486.86 g/mol, XLogP of 51.62, 12 rotatable bonds, 0 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[2-[[16-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[16-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione is sourced from PubChem (CID 165023394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).