2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

C128H58F4N26O18S18 — CID 165052233

About 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile (PubChem CID 165052233) has the molecular formula C128H58F4N26O18S18 and a molecular weight of 2901.23 g/mol. Its IUPAC name is 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
• PubChem CID: 165052233
• Molecular Formula: C128H58F4N26O18S18
• Molecular Weight: 2901.23 g/mol
• Exact Mass: 2897.93
• IUPAC Name: 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
• SMILES: CC1(C)Oc2c(sc3nc(/C=C4\C(=O)C(=O)c5c(F)cc(F)cc54)sc23)-c2sc3nc(/C=C4\C(=O)C(=O)c5c(F)cc(F)cc54)sc3c21.[C-]#[N+]/C(C#N)=C1/SC(=Nc2nc3sc4c(c3s2)C(C)(C)Oc2c-4sc3nc(N=C4SC(=C(C#N)C#N)N(CC)C4=O)sc23)C(=O)N1CC.[C-]#[N+]C1=C(C)C(=Nc2nc3sc4c(c3s2)OC(C)(C)c2c-4sc3nc(N=C4C(=O)N(C)C(=O)C(C#N)=C4C)sc23)C(=O)N(C)C1=O.[C-]#[N+]c1cc2c(cc1[N+]#[C-])C(=O)C(=Cc1nc3sc4c(c3s1)C(C)(C)Oc1c-4sc3nc(C=C4C(=O)c5cc(C#N)c(C#N)cc5C4=O)sc13)C2=O
• InChI: InChI=1S/C37H12N6O5S4.C33H12F4N2O5S4.C29H16N10O3S6.C29H18N8O5S4/c1-37(2)25-31(51-35-32(25)49-23(42-35)9-20-28(46)17-7-21(40-3)22(41-4)8-18(17)29(20)47)33-30(48-37)34-36(52-33)43-24(50-34)10-19-26(44)15-5-13(11-38)14(12-39)6-16(15)27(19)45;1-33(2)21-27(47-31-28(21)45-17(38-31)7-13-11-3-9(34)5-15(36)19(11)24(42)22(13)40)29-26(44-33)30-32(48-29)39-18(46-30)8-14-12-4-10(35)6-16(37)20(12)25(43)23(14)41;1-6-38-23(40)21(47-25(38)11(8-30)9-31)36-28-35-20-18(46-28)14-17(44-20)15-13(29(3,4)42-14)16-19(43-15)34-27(45-16)37-22-24(41)39(7-2)26(48-22)12(10-32)33-5;1-9-11(8-30)23(38)36(6)25(40)14(9)32-27-34-21-18(45-27)12-17(43-21)19-16(42-29(12,3)4)20-22(44-19)35-28(46-20)33-15-10(2)13(31-5)24(39)37(7)26(15)41/h5-10H,1-2H3;3-8H,1-2H3;6-7H2,1-4H3;1-4,6-7H3/b;13-7-,14-8-;26-12+,36-21?,37-22?
• InChIKey: PVQCOTVLZCNLMA-XVWWHORRSA-N
• XLogP: 30.53
• TPSA: 601.60 Ų
• H-Bond Acceptors: 54
• Rotatable Bonds: 10
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2901.23
LogP ≤ 5	30.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	54

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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?

The IUPAC name of 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile (CID 165052233) is 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile.

What is the SMILES notation for 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?

The canonical SMILES for 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile is CC1(C)Oc2c(sc3nc(/C=C4\C(=O)C(=O)c5c(F)cc(F)cc54)sc23)-c2sc3nc(/C=C4\C(=O)C(=O)c5c(F)cc(F)cc54)sc3c21.[C-]#[N+]/C(C#N)=C1/SC(=Nc2nc3sc4c(c3s2)C(C)(C)Oc2c-4sc3nc(N=C4SC(=C(C#N)C#N)N(CC)C4=O)sc23)C(=O)N1CC.[C-]#[N+]C1=C(C)C(=Nc2nc3sc4c(c3s2)OC(C)(C)c2c-4sc3nc(N=C4C(=O)N(C)C(=O)C(C#N)=C4C)sc23)C(=O)N(C)C1=O.[C-]#[N+]c1cc2c(cc1[N+]#[C-])C(=O)C(=Cc1nc3sc4c(c3s1)C(C)(C)Oc1c-4sc3nc(C=C4C(=O)c5cc(C#N)c(C#N)cc5C4=O)sc13)C2=O.

What is the InChIKey of 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?

The InChIKey is PVQCOTVLZCNLMA-XVWWHORRSA-N. The full InChI is InChI=1S/C37H12N6O5S4.C33H12F4N2O5S4.C29H16N10O3S6.C29H18N8O5S4/c1-37(2)25-31(51-35-32(25)49-23(42-35)9-20-28(46)17-7-21(40-3)22(41-4)8-18(17)29(20)47)33-30(48-37)34-36(52-33)43-24(50-34)10-19-26(44)15-5-13(11-38)14(12-39)6-16(15)27(19)45;1-33(2)21-27(47-31-28(21)45-17(38-31)7-13-11-3-9(34)5-15(36)19(11)24(42)22(13)40)29-26(44-33)30-32(48-29)39-18(46-30)8-14-12-4-10(35)6-16(37)20(12)25(43)23(14)41;1-6-38-23(40)21(47-25(38)11(8-30)9-31)36-28-35-20-18(46-28)14-17(44-20)15-13(29(3,4)42-14)16-19(43-15)34-27(45-16)37-22-24(41)39(7-2)26(48-22)12(10-32)33-5;1-9-11(8-30)23(38)36(6)25(40)14(9)32-27-34-21-18(45-27)12-17(43-21)19-16(42-29(12,3)4)20-22(44-19)35-28(46-20)33-15-10(2)13(31-5)24(39)37(7)26(15)41/h5-10H,1-2H3;3-8H,1-2H3;6-7H2,1-4H3;1-4,6-7H3/b;13-7-,14-8-;26-12+,36-21?,37-22?;.

What are the key properties of 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?

2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 2901.23 g/mol, XLogP of 30.53, 10 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[15-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;5-[[6-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 165052233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).