(2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane

C318H258F18N14O27S20 — CID 164966021

About (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane

(2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane (PubChem CID 164966021) has the molecular formula C318H258F18N14O27S20 and a molecular weight of 5690.94 g/mol. Its IUPAC name is (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane.

Molecular Properties

• Compound Name: (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane
• PubChem CID: 164966021
• Molecular Formula: C318H258F18N14O27S20
• Molecular Weight: 5690.94 g/mol
• Exact Mass: 5685.34
• IUPAC Name: (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane
• SMILES: CC.CC.CCC(C)Cn1c2cc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)sc2c2sc3c4sc(/C=C5/C(=O)c6cc(C)c(F)cc6C5=O)cc4n(CC(C)CC(F)(F)F)c3c21.CCC(C)Cn1c2cc(C=C3C(=O)c4ccccc4C3=O)sc2c2sc3c4sc(C=C5C(=O)c6ccccc6C5=O)cc4n(CC(C)CC)c3c21.CCC(C)Cn1c2cc(C=C3C(=O)c4ccccc4C3=O)sc2c2sc3c4sc(C=C5C(=O)c6ccccc6C5=O)cc4n(CC(C)CC)c3c21.CCCC(C)n1c2cc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)sc2c2sc3c4sc(/C=C5/C(=O)c6cc(C)c(F)cc6C5=O)cc4n(C(C)CCC)c3c21.CCCCC(CC)Cn1c2cc(C3=CC(=C4C(=O)c5cc(F)c(F)cc5C4=O)CCC3)sc2c2sc3c4sc(C5=C/C(=C6/C(=O)c7cc(C)c(F)cc7C6=O)CCC5)cc4n(CC(CC)CCCC)c3c21.Cc1cc2c(cc1F)C(=O)/C(=C\c1cc3c(s1)c1sc4c5sc(C=C6C(=O)c7cc(F)c(F)cc7C6=O)cc5n(CC5CCCCC5)c4c1n3CC1CCCCC1)C2=O.[C-]#[N+]C(C#N)=C1/C(=C/c2cc3c(s2)-c2sc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)cc2C32CCCCC2)C(=O)c2cc(F)c(C)cc21
• InChI: InChI=1S/C59H57F3N2O4S3.C47H37F3N2O4S3.C43H30F6N2O4S3.C43H33F3N2O4S3.2C42H34N2O4S3.C38H21F3N2O3S2.2C2H6/c1-6-10-14-31(8-3)28-63-44-26-46(33-16-12-18-35(21-33)48-52(65)37-20-30(5)41(60)23-38(37)53(48)66)69-56(44)58-50(63)51-59(71-58)57-45(64(51)29-32(9-4)15-11-7-2)27-47(70-57)34-17-13-19-36(22-34)49-54(67)39-24-42(61)43(62)25-40(39)55(49)68;1-22-12-27-28(17-33(22)48)41(54)31(40(27)53)13-25-15-36-44(57-25)46-38(51(36)20-23-8-4-2-5-9-23)39-47(59-46)45-37(52(39)21-24-10-6-3-7-11-24)16-26(58-45)14-32-42(55)29-18-34(49)35(50)19-30(29)43(32)56;1-5-17(2)15-50-31-9-21(8-27-37(54)24-12-29(45)30(46)13-25(24)38(27)55)56-39(31)41-33(50)34-42(58-41)40-32(51(34)16-18(3)14-43(47,48)49)10-20(57-40)7-26-35(52)22-6-19(4)28(44)11-23(22)36(26)53;1-6-8-19(4)47-32-13-21(11-27-36(49)23-10-18(3)29(44)15-24(23)37(27)50)53-40(32)42-34(47)35-43(55-42)41-33(48(35)20(5)9-7-2)14-22(54-41)12-28-38(51)25-16-30(45)31(46)17-26(25)39(28)52;2*1-5-21(3)19-43-31-17-23(15-29-35(45)25-11-7-8-12-26(25)36(29)46)49-39(31)41-33(43)34-42(51-41)40-32(44(34)20-22(4)6-2)18-24(50-40)16-30-37(47)27-13-9-10-14-28(27)38(30)48;1-17-8-20-21(13-28(17)39)33(44)24(32(20)31(16-42)43-2)9-18-11-26-36(47-18)37-27(38(26)6-4-3-5-7-38)12-19(48-37)10-25-34(45)22-14-29(40)30(41)15-23(22)35(25)46;2*1-2/h20-27,31-32H,6-19,28-29H2,1-5H3;12-19,23-24H,2-11,20-21H2,1H3;6-13,17-18H,5,14-16H2,1-4H3;10-17,19-20H,6-9H2,1-5H3;2*7-18,21-22H,5-6,19-20H2,1-4H3;8-15H,3-7H2,1H3;2*1-2H3/b48-35-;31-13-;26-7-;27-11-;;;24-9-,32-31?
• InChIKey: CMJDNEVMIRCBKW-LZFWRUBESA-N
• XLogP: 88.79
• TPSA: 548.20 Ų
• H-Bond Acceptors: 60
• Rotatable Bonds: 54
• Heavy Atoms: 397
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5690.94
LogP ≤ 5	88.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	60

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane?

The IUPAC name of (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane (CID 164966021) is (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane.

What is the SMILES notation for (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane?

The canonical SMILES for (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane is CC.CC.CCC(C)Cn1c2cc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)sc2c2sc3c4sc(/C=C5/C(=O)c6cc(C)c(F)cc6C5=O)cc4n(CC(C)CC(F)(F)F)c3c21.CCC(C)Cn1c2cc(C=C3C(=O)c4ccccc4C3=O)sc2c2sc3c4sc(C=C5C(=O)c6ccccc6C5=O)cc4n(CC(C)CC)c3c21.CCC(C)Cn1c2cc(C=C3C(=O)c4ccccc4C3=O)sc2c2sc3c4sc(C=C5C(=O)c6ccccc6C5=O)cc4n(CC(C)CC)c3c21.CCCC(C)n1c2cc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)sc2c2sc3c4sc(/C=C5/C(=O)c6cc(C)c(F)cc6C5=O)cc4n(C(C)CCC)c3c21.CCCCC(CC)Cn1c2cc(C3=CC(=C4C(=O)c5cc(F)c(F)cc5C4=O)CCC3)sc2c2sc3c4sc(C5=C/C(=C6/C(=O)c7cc(C)c(F)cc7C6=O)CCC5)cc4n(CC(CC)CCCC)c3c21.Cc1cc2c(cc1F)C(=O)/C(=C\c1cc3c(s1)c1sc4c5sc(C=C6C(=O)c7cc(F)c(F)cc7C6=O)cc5n(CC5CCCCC5)c4c1n3CC1CCCCC1)C2=O.[C-]#[N+]C(C#N)=C1/C(=C/c2cc3c(s2)-c2sc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)cc2C32CCCCC2)C(=O)c2cc(F)c(C)cc21.

What is the InChIKey of (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane?

The InChIKey is CMJDNEVMIRCBKW-LZFWRUBESA-N. The full InChI is InChI=1S/C59H57F3N2O4S3.C47H37F3N2O4S3.C43H30F6N2O4S3.C43H33F3N2O4S3.2C42H34N2O4S3.C38H21F3N2O3S2.2C2H6/c1-6-10-14-31(8-3)28-63-44-26-46(33-16-12-18-35(21-33)48-52(65)37-20-30(5)41(60)23-38(37)53(48)66)69-56(44)58-50(63)51-59(71-58)57-45(64(51)29-32(9-4)15-11-7-2)27-47(70-57)34-17-13-19-36(22-34)49-54(67)39-24-42(61)43(62)25-40(39)55(49)68;1-22-12-27-28(17-33(22)48)41(54)31(40(27)53)13-25-15-36-44(57-25)46-38(51(36)20-23-8-4-2-5-9-23)39-47(59-46)45-37(52(39)21-24-10-6-3-7-11-24)16-26(58-45)14-32-42(55)29-18-34(49)35(50)19-30(29)43(32)56;1-5-17(2)15-50-31-9-21(8-27-37(54)24-12-29(45)30(46)13-25(24)38(27)55)56-39(31)41-33(50)34-42(58-41)40-32(51(34)16-18(3)14-43(47,48)49)10-20(57-40)7-26-35(52)22-6-19(4)28(44)11-23(22)36(26)53;1-6-8-19(4)47-32-13-21(11-27-36(49)23-10-18(3)29(44)15-24(23)37(27)50)53-40(32)42-34(47)35-43(55-42)41-33(48(35)20(5)9-7-2)14-22(54-41)12-28-38(51)25-16-30(45)31(46)17-26(25)39(28)52;2*1-5-21(3)19-43-31-17-23(15-29-35(45)25-11-7-8-12-26(25)36(29)46)49-39(31)41-33(43)34-42(51-41)40-32(44(34)20-22(4)6-2)18-24(50-40)16-30-37(47)27-13-9-10-14-28(27)38(30)48;1-17-8-20-21(13-28(17)39)33(44)24(32(20)31(16-42)43-2)9-18-11-26-36(47-18)37-27(38(26)6-4-3-5-7-38)12-19(48-37)10-25-34(45)22-14-29(40)30(41)15-23(22)35(25)46;2*1-2/h20-27,31-32H,6-19,28-29H2,1-5H3;12-19,23-24H,2-11,20-21H2,1H3;6-13,17-18H,5,14-16H2,1-4H3;10-17,19-20H,6-9H2,1-5H3;2*7-18,21-22H,5-6,19-20H2,1-4H3;8-15H,3-7H2,1H3;2*1-2H3/b48-35-;31-13-;26-7-;27-11-;;;24-9-,32-31?;;.

What are the key properties of (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane?

(2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane has a molecular weight of 5690.94 g/mol, XLogP of 88.79, 54 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[3-[14-[3-(5,6-difluoro-1,3-dioxoinden-2-ylidene)cyclohexen-1-yl]-3,17-bis(2-ethylhexyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-ylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;(2Z)-2-[[14-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-5-fluoro-6-methylindene-1,3-dione;2-[(2Z)-2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5-fluoro-6-methyl-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;bis(2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]indene-1,3-dione);ethane is sourced from PubChem (CID 164966021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).