2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione

C142H101F3N12O16S20 — CID 164952025

About 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione

2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione (PubChem CID 164952025) has the molecular formula C142H101F3N12O16S20 and a molecular weight of 2929.77 g/mol. Its IUPAC name is 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione.

Molecular Properties

• Compound Name: 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione
• PubChem CID: 164952025
• Molecular Formula: C142H101F3N12O16S20
• Molecular Weight: 2929.77 g/mol
• Exact Mass: 2926.18
• IUPAC Name: 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione
• SMILES: Cc1ccc2c(c1)/C(=C/c1nc3sc4c(c3s1)C1(CCCCC1)Oc1c-4sc3nc(/C=C4\C(=O)C(=O)c5ccc(C(F)(F)F)cc54)sc13)C(=O)C2=O.O=C1C(=Nc2nc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3nc(N=C4C(=O)C5CCCCC5C4=O)sc23)C(=O)C2CCCCC12.O=C1C(=O)c2ccccc2/C1=C/c1nc2sc3c(c2s1)OC1(CCCCC1)c1c-3sc2nc(/C=C3\C(=O)C(=O)c4ccccc43)sc12.S=C1C(=Nc2nc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3nc(N=C4C(=S)C5CCCCC5C4=S)sc23)C(=S)C2CCCCC12
• InChI: InChI=1S/C38H21F3N2O5S4.C36H20N2O5S4.C34H30N4O5S4.C34H30N4OS8/c1-15-5-7-17-19(11-15)21(28(46)26(17)44)13-23-42-35-32(49-23)25-31(51-35)33-30(48-37(25)9-3-2-4-10-37)34-36(52-33)43-24(50-34)14-22-20-12-16(38(39,40)41)6-8-18(20)27(45)29(22)47;39-25-18-10-4-2-8-16(18)20(27(25)41)14-22-37-34-31(44-22)24-30(46-34)32-29(43-36(24)12-6-1-7-13-36)33-35(47-32)38-23(45-33)15-21-17-9-3-5-11-19(17)26(40)28(21)42;39-21-14-8-2-3-9-15(14)22(40)19(21)35-32-37-30-27(46-32)18-26(44-30)28-25(43-34(18)12-6-1-7-13-34)29-31(45-28)38-33(47-29)36-20-23(41)16-10-4-5-11-17(16)24(20)42;40-22-14-8-2-3-9-15(14)23(41)19(22)35-32-37-30-27(46-32)18-26(44-30)28-21(39-34(18)12-6-1-7-13-34)29-31(45-28)38-33(47-29)36-20-24(42)16-10-4-5-11-17(16)25(20)43/h5-8,11-14H,2-4,9-10H2,1H3;2-5,8-11,14-15H,1,6-7,12-13H2;2*14-17H,1-13H2/b21-13-,22-14-;20-14-,21-15-
• InChIKey: USXKSDFXTOCMSI-UIZVNQMZSA-N
• XLogP: 38.87
• TPSA: 394.32 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 8
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2929.77
LogP ≤ 5	38.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', '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-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione?

The IUPAC name of 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione (CID 164952025) is 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione.

What is the SMILES notation for 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione?

The canonical SMILES for 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione is Cc1ccc2c(c1)/C(=C/c1nc3sc4c(c3s1)C1(CCCCC1)Oc1c-4sc3nc(/C=C4\C(=O)C(=O)c5ccc(C(F)(F)F)cc54)sc13)C(=O)C2=O.O=C1C(=Nc2nc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3nc(N=C4C(=O)C5CCCCC5C4=O)sc23)C(=O)C2CCCCC12.O=C1C(=O)c2ccccc2/C1=C/c1nc2sc3c(c2s1)OC1(CCCCC1)c1c-3sc2nc(/C=C3\C(=O)C(=O)c4ccccc43)sc12.S=C1C(=Nc2nc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3nc(N=C4C(=S)C5CCCCC5C4=S)sc23)C(=S)C2CCCCC12.

What is the InChIKey of 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione?

The InChIKey is USXKSDFXTOCMSI-UIZVNQMZSA-N. The full InChI is InChI=1S/C38H21F3N2O5S4.C36H20N2O5S4.C34H30N4O5S4.C34H30N4OS8/c1-15-5-7-17-19(11-15)21(28(46)26(17)44)13-23-42-35-32(49-23)25-31(51-35)33-30(48-37(25)9-3-2-4-10-37)34-36(52-33)43-24(50-34)14-22-20-12-16(38(39,40)41)6-8-18(20)27(45)29(22)47;39-25-18-10-4-2-8-16(18)20(27(25)41)14-22-37-34-31(44-22)24-30(46-34)32-29(43-36(24)12-6-1-7-13-36)33-35(47-32)38-23(45-33)15-21-17-9-3-5-11-19(17)26(40)28(21)42;39-21-14-8-2-3-9-15(14)22(40)19(21)35-32-37-30-27(46-32)18-26(44-30)28-25(43-34(18)12-6-1-7-13-34)29-31(45-28)38-33(47-29)36-20-23(41)16-10-4-5-11-17(16)24(20)42;40-22-14-8-2-3-9-15(14)23(41)19(22)35-32-37-30-27(46-32)18-26(44-30)28-21(39-34(18)12-6-1-7-13-34)29-31(45-28)38-33(47-29)36-20-24(42)16-10-4-5-11-17(16)25(20)43/h5-8,11-14H,2-4,9-10H2,1H3;2-5,8-11,14-15H,1,6-7,12-13H2;2*14-17H,1-13H2/b21-13-,22-14-;20-14-,21-15-;;.

What are the key properties of 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione?

2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione has a molecular weight of 2929.77 g/mol, XLogP of 38.87, 8 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[1,3-bis(sulfanylidene)-3a,4,5,6,7,7a-hexahydroinden-2-ylidene]amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dithione;2-[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]spiro[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-hexaene-11,1'-cyclohexane]-15-yl]methylidene]-5-methylindene-1,2-dione is sourced from PubChem (CID 164952025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).