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

C194H99F11N10O20S10 — CID 165080603

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

2-[[4-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-methylindene-1,2-dione (PubChem CID 165080603) has the molecular formula C194H99F11N10O20S10 and a molecular weight of 3419.62 g/mol. Its IUPAC name is 2-[[4-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-methylindene-1,2-dione.

Molecular Properties

• Compound Name: 2-[[4-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-methylindene-1,2-dione
• PubChem CID: 165080603
• Molecular Formula: C194H99F11N10O20S10
• Molecular Weight: 3419.62 g/mol
• Exact Mass: 3416.41
• IUPAC Name: 2-[[4-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-methylindene-1,2-dione
• SMILES: Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1cc2sc3c4sc(/C=C5\C(=O)C(=O)c6cc(C(F)(F)F)ccc65)cc4n(C)c3c2n1C.Cn1c(/C=C2\C(=O)C(=O)c3c(F)cc(F)cc32)cc2sc3c4sc(/C=C5\C(=O)C(=O)c6c(F)cc(F)cc65)cc4n(C)c3c21.Cn1c(C=C2C(=O)c3cc4cc(F)c(F)cc4cc3C2=O)cc2sc3c4sc(C=C5C(=O)c6cc7cc(F)c(F)cc7cc6C5=O)cc4n(C)c3c21.Cn1c(C=C2C(=O)c3cc4cc5ccccc5cc4cc3C2=O)cc2sc3c4sc(C=C5C(=O)c6cc7cc8ccccc8cc7cc6C5=O)cc4n(C)c3c21.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc3c4sc(C=C5C(=O)c6cc7ccccc7cc6C5=O)cc4n(C)c3c21
• InChI: InChI=1S/C48H26N2O4S2.C40H18F4N2O4S2.C40H22N2O4S2.C34H19F3N2O4S2.C32H14F4N2O4S2/c1-49-31(19-37-43(51)33-15-27-11-23-7-3-4-8-24(23)12-28(27)16-34(33)44(37)52)20-40-41(49)42-48(56-40)47-39(50(42)2)22-32(55-47)21-38-45(53)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)46(38)54;1-45-19(11-25-35(47)21-3-15-7-27(41)28(42)8-16(15)4-22(21)36(25)48)12-32-33(45)34-40(52-32)39-31(46(34)2)14-20(51-39)13-26-37(49)23-5-17-9-29(43)30(44)10-18(17)6-24(23)38(26)50;1-41-23(15-29-35(43)25-11-19-7-3-4-8-20(19)12-26(25)36(29)44)16-32-33(41)34-40(48-32)39-31(42(34)2)18-24(47-39)17-30-37(45)27-13-21-9-5-6-10-22(21)14-28(27)38(30)46;1-14-4-6-18-20(8-14)28(40)30(42)22(18)10-16-11-25-26(38(16)2)27-33(45-25)32-24(39(27)3)13-17(44-32)12-23-19-7-5-15(34(35,36)37)9-21(19)29(41)31(23)43;1-37-13(7-17-15-3-11(33)5-19(35)23(15)29(41)27(17)39)8-22-25(37)26-32(44-22)31-21(38(26)2)10-14(43-31)9-18-16-4-12(34)6-20(36)24(16)30(42)28(18)40/h3-22H,1-2H3;3-14H,1-2H3;3-18H,1-2H3;4-13H,1-3H3;3-10H,1-2H3/b;;;22-10-,23-12-;17-7-,18-9-
• InChIKey: VAVWPRRUUSDVLX-ONVHNRMHSA-N
• XLogP: 45.40
• TPSA: 390.70 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 10
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3419.62
LogP ≤ 5	45.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

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

The IUPAC name of 2-[[4-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-methylindene-1,2-dione (CID 165080603) is 2-[[4-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-methylindene-1,2-dione.

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

The canonical SMILES for 2-[[4-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-methylindene-1,2-dione is Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1cc2sc3c4sc(/C=C5\C(=O)C(=O)c6cc(C(F)(F)F)ccc65)cc4n(C)c3c2n1C.Cn1c(/C=C2\C(=O)C(=O)c3c(F)cc(F)cc32)cc2sc3c4sc(/C=C5\C(=O)C(=O)c6c(F)cc(F)cc65)cc4n(C)c3c21.Cn1c(C=C2C(=O)c3cc4cc(F)c(F)cc4cc3C2=O)cc2sc3c4sc(C=C5C(=O)c6cc7cc(F)c(F)cc7cc6C5=O)cc4n(C)c3c21.Cn1c(C=C2C(=O)c3cc4cc5ccccc5cc4cc3C2=O)cc2sc3c4sc(C=C5C(=O)c6cc7cc8ccccc8cc7cc6C5=O)cc4n(C)c3c21.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc3c4sc(C=C5C(=O)c6cc7ccccc7cc6C5=O)cc4n(C)c3c21.

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

The InChIKey is VAVWPRRUUSDVLX-ONVHNRMHSA-N. The full InChI is InChI=1S/C48H26N2O4S2.C40H18F4N2O4S2.C40H22N2O4S2.C34H19F3N2O4S2.C32H14F4N2O4S2/c1-49-31(19-37-43(51)33-15-27-11-23-7-3-4-8-24(23)12-28(27)16-34(33)44(37)52)20-40-41(49)42-48(56-40)47-39(50(42)2)22-32(55-47)21-38-45(53)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)46(38)54;1-45-19(11-25-35(47)21-3-15-7-27(41)28(42)8-16(15)4-22(21)36(25)48)12-32-33(45)34-40(52-32)39-31(46(34)2)14-20(51-39)13-26-37(49)23-5-17-9-29(43)30(44)10-18(17)6-24(23)38(26)50;1-41-23(15-29-35(43)25-11-19-7-3-4-8-20(19)12-26(25)36(29)44)16-32-33(41)34-40(48-32)39-31(42(34)2)18-24(47-39)17-30-37(45)27-13-21-9-5-6-10-22(21)14-28(27)38(30)46;1-14-4-6-18-20(8-14)28(40)30(42)22(18)10-16-11-25-26(38(16)2)27-33(45-25)32-24(39(27)3)13-17(44-32)12-23-19-7-5-15(34(35,36)37)9-21(19)29(41)31(23)43;1-37-13(7-17-15-3-11(33)5-19(35)23(15)29(41)27(17)39)8-22-25(37)26-32(44-22)31-21(38(26)2)10-14(43-31)9-18-16-4-12(34)6-20(36)24(16)30(42)28(18)40/h3-22H,1-2H3;3-14H,1-2H3;3-18H,1-2H3;4-13H,1-3H3;3-10H,1-2H3/b;;;22-10-,23-12-;17-7-,18-9-.

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

2-[[4-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-methylindene-1,2-dione has a molecular weight of 3419.62 g/mol, XLogP of 45.40, 10 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-methylindene-1,2-dione is sourced from PubChem (CID 165080603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).