2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione

C192H114F14N12O20S10 — CID 164957260

About 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione

2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione (PubChem CID 164957260) has the molecular formula C192H114F14N12O20S10 and a molecular weight of 3495.73 g/mol. Its IUPAC name is 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione.

Molecular Properties

• Compound Name: 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione
• PubChem CID: 164957260
• Molecular Formula: C192H114F14N12O20S10
• Molecular Weight: 3495.73 g/mol
• Exact Mass: 3492.53
• IUPAC Name: 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione
• SMILES: Cn1c2cc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)sc2c2c1c1sc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)cc1n2C.Cn1c2cc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)sc2c2c1c1sc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)cc1n2C.Cn1c2cc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)sc2c2c1c1sc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)cc1n2C.Cn1c2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc2c2c1c1sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc1n2C.Cn1c2cc(N=C3C(=O)C4CC5CC(F)C(F)CC5CC4C3=O)sc2c2c1c1sc(N=C3C(=O)C4CC5CC(F)C(F)CC5CC4C3=O)cc1n2C
• InChI: InChI=1S/C48H26N2O4S2.C40H22N2O4S2.C38H36F4N4O4S2.C34H16F6N2O4S2.C32H14F4N2O4S2/c1-49-39-21-31(19-37-43(51)33-15-27-11-23-7-3-4-8-24(23)12-28(27)16-34(33)44(37)52)55-47(39)42-41(49)48-40(50(42)2)22-32(56-48)20-38-45(53)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)46(38)54;1-41-31-17-23(15-29-35(43)25-11-19-7-3-4-8-20(19)12-26(25)36(29)44)47-39(31)34-33(41)40-32(42(34)2)18-24(48-40)16-30-37(45)27-13-21-9-5-6-10-22(21)14-28(27)38(30)46;1-45-25-11-27(43-29-33(47)17-3-13-7-21(39)22(40)8-14(13)4-18(17)34(29)48)51-37(25)32-31(45)38-26(46(32)2)12-28(52-38)44-30-35(49)19-5-15-9-23(41)24(42)10-16(15)6-20(19)36(30)50;1-41-23-11-15(9-21-17-5-3-13(33(35,36)37)7-19(17)27(43)29(21)45)47-31(23)26-25(41)32-24(42(26)2)12-16(48-32)10-22-18-6-4-14(34(38,39)40)8-20(18)28(44)30(22)46;1-37-21-9-13(7-17-15-3-11(33)5-19(35)23(15)29(41)27(17)39)43-31(21)26-25(37)32-22(38(26)2)10-14(44-32)8-18-16-4-12(34)6-20(36)24(16)30(42)28(18)40/h3-22H,1-2H3;3-18H,1-2H3;11-24H,3-10H2,1-2H3;3-12H,1-2H3;3-10H,1-2H3/b;;;21-9-,22-10-;17-7-,18-8-
• InChIKey: HFGISSLTXFMBHN-QKTKMVBHSA-N
• XLogP: 44.22
• TPSA: 415.42 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 10
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3495.73
LogP ≤ 5	44.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

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-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?

The IUPAC name of 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione (CID 164957260) is 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione.

What is the SMILES notation for 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?

The canonical SMILES for 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione is Cn1c2cc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)sc2c2c1c1sc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)cc1n2C.Cn1c2cc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)sc2c2c1c1sc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)cc1n2C.Cn1c2cc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)sc2c2c1c1sc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)cc1n2C.Cn1c2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc2c2c1c1sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc1n2C.Cn1c2cc(N=C3C(=O)C4CC5CC(F)C(F)CC5CC4C3=O)sc2c2c1c1sc(N=C3C(=O)C4CC5CC(F)C(F)CC5CC4C3=O)cc1n2C.

What is the InChIKey of 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?

The InChIKey is HFGISSLTXFMBHN-QKTKMVBHSA-N. The full InChI is InChI=1S/C48H26N2O4S2.C40H22N2O4S2.C38H36F4N4O4S2.C34H16F6N2O4S2.C32H14F4N2O4S2/c1-49-39-21-31(19-37-43(51)33-15-27-11-23-7-3-4-8-24(23)12-28(27)16-34(33)44(37)52)55-47(39)42-41(49)48-40(50(42)2)22-32(56-48)20-38-45(53)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)46(38)54;1-41-31-17-23(15-29-35(43)25-11-19-7-3-4-8-20(19)12-26(25)36(29)44)47-39(31)34-33(41)40-32(42(34)2)18-24(48-40)16-30-37(45)27-13-21-9-5-6-10-22(21)14-28(27)38(30)46;1-45-25-11-27(43-29-33(47)17-3-13-7-21(39)22(40)8-14(13)4-18(17)34(29)48)51-37(25)32-31(45)38-26(46(32)2)12-28(52-38)44-30-35(49)19-5-15-9-23(41)24(42)10-16(15)6-20(19)36(30)50;1-41-23-11-15(9-21-17-5-3-13(33(35,36)37)7-19(17)27(43)29(21)45)47-31(23)26-25(41)32-24(42(26)2)12-16(48-32)10-22-18-6-4-14(34(38,39)40)8-20(18)28(44)30(22)46;1-37-21-9-13(7-17-15-3-11(33)5-19(35)23(15)29(41)27(17)39)43-31(21)26-25(37)32-22(38(26)2)10-14(44-32)8-18-16-4-12(34)6-20(36)24(16)30(42)28(18)40/h3-22H,1-2H3;3-18H,1-2H3;11-24H,3-10H2,1-2H3;3-12H,1-2H3;3-10H,1-2H3/b;;;21-9-,22-10-;17-7-,18-8-.

What are the key properties of 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?

2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione has a molecular weight of 3495.73 g/mol, XLogP of 44.22, 10 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[11-[(6,7-difluoro-1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-6,7-difluoro-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[11-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,14-dimethyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione is sourced from PubChem (CID 164957260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).