2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione

C187H110F7N9O25S10 — CID 164987224

About 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione

2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione (PubChem CID 164987224) has the molecular formula C187H110F7N9O25S10 and a molecular weight of 3336.63 g/mol. Its IUPAC name is 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione.

Molecular Properties

• Compound Name: 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione
• PubChem CID: 164987224
• Molecular Formula: C187H110F7N9O25S10
• Molecular Weight: 3336.63 g/mol
• Exact Mass: 3333.47
• IUPAC Name: 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione
• SMILES: Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1nc2c(s1)-c1sc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)nc1OC21CCCCC1.O=C1C(=Cc2cc3c(s2)-c2sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)nc2C2(CCCCC2)O3)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2nc3c(s2)-c2sc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)nc2C2(CCCCC2)O3)C(=O)c2cc(F)c(F)cc21.O=C1C(=Cc2nc3c(s2)-c2sc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)nc2C2(CCCCC2)O3)C(=O)c2cc3cc4ccccc4cc3cc21.O=C1C(=O)c2ccccc2/C1=C/c1nc2c(s1)-c1sc(/C=C3\C(=O)C(=O)c4ccccc43)nc1C1(CCCCC1)O2
• InChI: InChI=1S/C48H28N2O5S2.C41H25NO5S2.C34H21F3N2O5S2.C32H16F4N2O5S2.C32H20N2O5S2/c51-40-32-18-28-14-24-8-2-3-9-25(24)15-29(28)19-33(32)41(52)36(40)22-38-49-46-44(56-38)45-47(55-48(46)12-6-1-7-13-48)50-39(57-45)23-37-42(53)34-20-30-16-26-10-4-5-11-27(26)17-31(30)21-35(34)43(37)54;43-34-26-14-21-8-2-3-9-22(21)15-27(26)35(44)30(34)18-25-19-32-38(48-25)39-40(41(47-32)12-6-1-7-13-41)42-33(49-39)20-31-36(45)28-16-23-10-4-5-11-24(23)17-29(28)37(31)46;1-15-5-7-17-19(11-15)25(40)27(42)21(17)13-23-38-31-29(45-23)30-32(44-33(31)9-3-2-4-10-33)39-24(46-30)14-22-18-8-6-16(34(35,36)37)12-20(18)26(41)28(22)43;33-18-6-12-13(7-19(18)34)25(40)16(24(12)39)10-22-37-30-28(44-22)29-31(43-32(30)4-2-1-3-5-32)38-23(45-29)11-17-26(41)14-8-20(35)21(36)9-15(14)27(17)42;35-24-18-10-4-2-8-16(18)20(26(24)37)14-22-33-30-28(40-22)29-31(39-32(30)12-6-1-7-13-32)34-23(41-29)15-21-17-9-3-5-11-19(17)25(36)27(21)38/h2-5,8-11,14-23H,1,6-7,12-13H2;2-5,8-11,14-20H,1,6-7,12-13H2;5-8,11-14H,2-4,9-10H2,1H3;6-11H,1-5H2;2-5,8-11,14-15H,1,6-7,12-13H2/b;;21-13-,22-14-;;20-14-,21-15-
• InChIKey: GIJWTEGOSOMZIV-UVARJRIDSA-N
• XLogP: 42.50
• TPSA: 503.56 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 10
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3336.63
LogP ≤ 5	42.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione?

The IUPAC name of 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione (CID 164987224) is 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione.

What is the SMILES notation for 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione?

The canonical SMILES for 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione is Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1nc2c(s1)-c1sc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)nc1OC21CCCCC1.O=C1C(=Cc2cc3c(s2)-c2sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)nc2C2(CCCCC2)O3)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2nc3c(s2)-c2sc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)nc2C2(CCCCC2)O3)C(=O)c2cc(F)c(F)cc21.O=C1C(=Cc2nc3c(s2)-c2sc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)nc2C2(CCCCC2)O3)C(=O)c2cc3cc4ccccc4cc3cc21.O=C1C(=O)c2ccccc2/C1=C/c1nc2c(s1)-c1sc(/C=C3\C(=O)C(=O)c4ccccc43)nc1C1(CCCCC1)O2.

What is the InChIKey of 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione?

The InChIKey is GIJWTEGOSOMZIV-UVARJRIDSA-N. The full InChI is InChI=1S/C48H28N2O5S2.C41H25NO5S2.C34H21F3N2O5S2.C32H16F4N2O5S2.C32H20N2O5S2/c51-40-32-18-28-14-24-8-2-3-9-25(24)15-29(28)19-33(32)41(52)36(40)22-38-49-46-44(56-38)45-47(55-48(46)12-6-1-7-13-48)50-39(57-45)23-37-42(53)34-20-30-16-26-10-4-5-11-27(26)17-31(30)21-35(34)43(37)54;43-34-26-14-21-8-2-3-9-22(21)15-27(26)35(44)30(34)18-25-19-32-38(48-25)39-40(41(47-32)12-6-1-7-13-41)42-33(49-39)20-31-36(45)28-16-23-10-4-5-11-24(23)17-29(28)37(31)46;1-15-5-7-17-19(11-15)25(40)27(42)21(17)13-23-38-31-29(45-23)30-32(44-33(31)9-3-2-4-10-33)39-24(46-30)14-22-18-8-6-16(34(35,36)37)12-20(18)26(41)28(22)43;33-18-6-12-13(7-19(18)34)25(40)16(24(12)39)10-22-37-30-28(44-22)29-31(43-32(30)4-2-1-3-5-32)38-23(45-29)11-17-26(41)14-8-20(35)21(36)9-15(14)27(17)42;35-24-18-10-4-2-8-16(18)20(26(24)37)14-22-33-30-28(40-22)29-31(39-32(30)12-6-1-7-13-32)34-23(41-29)15-21-17-9-3-5-11-19(17)25(36)27(21)38/h2-5,8-11,14-23H,1,6-7,12-13H2;2-5,8-11,14-20H,1,6-7,12-13H2;5-8,11-14H,2-4,9-10H2,1H3;6-11H,1-5H2;2-5,8-11,14-15H,1,6-7,12-13H2/b;;21-13-,22-14-;;20-14-,21-15-.

What are the key properties of 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione?

2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione has a molecular weight of 3336.63 g/mol, XLogP of 42.50, 10 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[8-oxa-3,12-dithia-5-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-7,1'-cyclohexane]-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]methylidene]-6-methylindene-1,2-dione is sourced from PubChem (CID 164987224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).