2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione

C170H106F4N16O20S10 — CID 164999089

About 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione

2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione (PubChem CID 164999089) has the molecular formula C170H106F4N16O20S10 and a molecular weight of 3089.47 g/mol. Its IUPAC name is 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione.

Molecular Properties

• Compound Name: 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione
• PubChem CID: 164999089
• Molecular Formula: C170H106F4N16O20S10
• Molecular Weight: 3089.47 g/mol
• Exact Mass: 3086.49
• IUPAC Name: 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione
• SMILES: N#Cc1cc2c(cc1C#N)C(=O)C(=Cc1nc3c(s1)-c1sc(C=C4C(=O)c5cc(C#N)c(C#N)cc5C4=O)nc1C31CCCCC1)C2=O.O=C1C(=Cc2nc3c(s2)-c2sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)nc2C32CCCCC2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2nc3c(s2)-c2sc(C=C4C(=O)c5ccccc5C4=O)nc2C32CCCCC2)C(=O)c2ccccc21.O=C1C(=Nc2nc3c(s2)-c2sc(N=C4C(=O)C5CCCCC5C4=O)nc2C32CCCCC2)C(=O)C2CCCCC12.O=C1C(=O)c2c(F)cc(F)cc2/C1=C/c1nc2c(s1)-c1sc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)nc1C21CCCCC1
• InChI: InChI=1S/C40H24N2O4S2.C36H16N6O4S2.C32H16F4N2O4S2.C32H20N2O4S2.C30H30N4O4S2/c43-32-24-14-20-8-2-3-9-21(20)15-25(24)33(44)28(32)18-30-41-38-36(47-30)37-39(40(38)12-6-1-7-13-40)42-31(48-37)19-29-34(45)26-16-22-10-4-5-11-23(22)17-27(26)35(29)46;37-12-16-6-20-21(7-17(16)13-38)29(44)24(28(20)43)10-26-41-34-32(47-26)33-35(36(34)4-2-1-3-5-36)42-27(48-33)11-25-30(45)22-8-18(14-39)19(15-40)9-23(22)31(25)46;33-12-6-14-16(24(39)26(41)22(14)18(35)8-12)10-20-37-30-28(43-20)29-31(32(30)4-2-1-3-5-32)38-21(44-29)11-17-15-7-13(34)9-19(36)23(15)27(42)25(17)40;35-24-16-8-2-3-9-17(16)25(36)20(24)14-22-33-30-28(39-22)29-31(32(30)12-6-1-7-13-32)34-23(40-29)15-21-26(37)18-10-4-5-11-19(18)27(21)38;35-20-14-8-2-3-9-15(14)21(36)18(20)31-28-33-26-24(39-28)25-27(30(26)12-6-1-7-13-30)34-29(40-25)32-19-22(37)16-10-4-5-11-17(16)23(19)38/h2-5,8-11,14-19H,1,6-7,12-13H2;6-11H,1-5H2;6-11H,1-5H2;2-5,8-11,14-15H,1,6-7,12-13H2;14-17H,1-13H2/b;;16-10-,17-11-
• InChIKey: UHUFRHMCMFFRDN-BRVVTIRSSA-N
• XLogP: 34.95
• TPSA: 590.18 Ų
• H-Bond Acceptors: 46
• Rotatable Bonds: 10
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3089.47
LogP ≤ 5	34.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	46

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione?

The IUPAC name of 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione (CID 164999089) is 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione.

What is the SMILES notation for 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione?

The canonical SMILES for 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione is N#Cc1cc2c(cc1C#N)C(=O)C(=Cc1nc3c(s1)-c1sc(C=C4C(=O)c5cc(C#N)c(C#N)cc5C4=O)nc1C31CCCCC1)C2=O.O=C1C(=Cc2nc3c(s2)-c2sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)nc2C32CCCCC2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2nc3c(s2)-c2sc(C=C4C(=O)c5ccccc5C4=O)nc2C32CCCCC2)C(=O)c2ccccc21.O=C1C(=Nc2nc3c(s2)-c2sc(N=C4C(=O)C5CCCCC5C4=O)nc2C32CCCCC2)C(=O)C2CCCCC12.O=C1C(=O)c2c(F)cc(F)cc2/C1=C/c1nc2c(s1)-c1sc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)nc1C21CCCCC1.

What is the InChIKey of 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione?

The InChIKey is UHUFRHMCMFFRDN-BRVVTIRSSA-N. The full InChI is InChI=1S/C40H24N2O4S2.C36H16N6O4S2.C32H16F4N2O4S2.C32H20N2O4S2.C30H30N4O4S2/c43-32-24-14-20-8-2-3-9-21(20)15-25(24)33(44)28(32)18-30-41-38-36(47-30)37-39(40(38)12-6-1-7-13-40)42-31(48-37)19-29-34(45)26-16-22-10-4-5-11-23(22)17-27(26)35(29)46;37-12-16-6-20-21(7-17(16)13-38)29(44)24(28(20)43)10-26-41-34-32(47-26)33-35(36(34)4-2-1-3-5-36)42-27(48-33)11-25-30(45)22-8-18(14-39)19(15-40)9-23(22)31(25)46;33-12-6-14-16(24(39)26(41)22(14)18(35)8-12)10-20-37-30-28(43-20)29-31(32(30)4-2-1-3-5-32)38-21(44-29)11-17-15-7-13(34)9-19(36)23(15)27(42)25(17)40;35-24-16-8-2-3-9-17(16)25(36)20(24)14-22-33-30-28(39-22)29-31(32(30)12-6-1-7-13-32)34-23(40-29)15-21-26(37)18-10-4-5-11-19(18)27(21)38;35-20-14-8-2-3-9-15(14)21(36)18(20)31-28-33-26-24(39-28)25-27(30(26)12-6-1-7-13-30)34-29(40-25)32-19-22(37)16-10-4-5-11-17(16)23(19)38/h2-5,8-11,14-19H,1,6-7,12-13H2;6-11H,1-5H2;6-11H,1-5H2;2-5,8-11,14-15H,1,6-7,12-13H2;14-17H,1-13H2/b;;16-10-,17-11-;;.

What are the key properties of 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione?

2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione has a molecular weight of 3089.47 g/mol, XLogP of 34.95, 10 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 164999089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).