N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione

C200H115F7N14O20S12 — CID 164974102

About N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione

N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione (PubChem CID 164974102) has the molecular formula C200H115F7N14O20S12 and a molecular weight of 3551.99 g/mol. Its IUPAC name is N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione.

Molecular Properties

• Compound Name: N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione
• PubChem CID: 164974102
• Molecular Formula: C200H115F7N14O20S12
• Molecular Weight: 3551.99 g/mol
• Exact Mass: 3548.49
• IUPAC Name: N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione
• SMILES: Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1cc2c(s1)c1sc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)cc1n2C.Cn1c2cc(C=C3C(=O)c4cc5cc(F)c(F)cc5cc4C3=O)sc2c2sc(C=C3C(=O)c4cc5cc(F)c(F)cc5cc4C3=O)cc21.Cn1c2cc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)sc2c2sc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)cc21.Cn1c2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc2c2sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.Cn1c2cc(N=C3C(=O)C4CC5CCCCC5CC4C3=O)sc2c2sc(N=C3C(=O)C4CC5CCCCC5CC4C3=O)cc21.[C-]#[N+]C(C#N)=Nc1cc2c(s1)c1sc(N=C(C#N)[N+]#[C-])cc1n2C
• InChI: InChI=1S/C45H23NO4S2.C37H15F4NO4S2.C37H19NO4S2.C35H37N3O4S2.C31H16F3NO4S2.C15H5N7S2/c1-46-38-20-30(18-36-40(47)32-14-26-10-22-6-2-3-7-23(22)11-27(26)15-33(32)41(36)48)51-44(38)45-39(46)21-31(52-45)19-37-42(49)34-16-28-12-24-8-4-5-9-25(24)13-29(28)17-35(34)43(37)50;1-42-30-12-18(10-24-32(43)20-2-14-6-26(38)27(39)7-15(14)3-21(20)33(24)44)47-36(30)37-31(42)13-19(48-37)11-25-34(45)22-4-16-8-28(40)29(41)9-17(16)5-23(22)35(25)46;1-38-30-16-22(14-28-32(39)24-10-18-6-2-3-7-19(18)11-25(24)33(28)40)43-36(30)37-31(38)17-23(44-37)15-29-34(41)26-12-20-8-4-5-9-21(20)13-27(26)35(29)42;1-38-24-14-26(36-28-30(39)20-10-16-6-2-3-7-17(16)11-21(20)31(28)40)43-34(24)35-25(38)15-27(44-35)37-29-32(41)22-12-18-8-4-5-9-19(18)13-23(22)33(29)42;1-13-3-5-17-19(7-13)25(36)27(38)21(17)9-15-11-23-29(40-15)30-24(35(23)2)12-16(41-30)10-22-18-6-4-14(31(32,33)34)8-20(18)26(37)28(22)39;1-18-10(6-16)20-12-4-8-14(23-12)15-9(22(8)3)5-13(24-15)21-11(7-17)19-2/h2-21H,1H3;2-13H,1H3;2-17H,1H3;14-23H,2-13H2,1H3;3-12H,1-2H3;4-5H,3H3/b;;;;21-9-,22-10-
• InChIKey: MKPSELAEYPXBCY-FUKKMVFESA-N
• XLogP: 48.28
• TPSA: 476.72 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 12
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3551.99
LogP ≤ 5	48.28
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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione?

The IUPAC name of N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione (CID 164974102) is N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione.

What is the SMILES notation for N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione?

The canonical SMILES for N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione is Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1cc2c(s1)c1sc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)cc1n2C.Cn1c2cc(C=C3C(=O)c4cc5cc(F)c(F)cc5cc4C3=O)sc2c2sc(C=C3C(=O)c4cc5cc(F)c(F)cc5cc4C3=O)cc21.Cn1c2cc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)sc2c2sc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)cc21.Cn1c2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc2c2sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.Cn1c2cc(N=C3C(=O)C4CC5CCCCC5CC4C3=O)sc2c2sc(N=C3C(=O)C4CC5CCCCC5CC4C3=O)cc21.[C-]#[N+]C(C#N)=Nc1cc2c(s1)c1sc(N=C(C#N)[N+]#[C-])cc1n2C.

What is the InChIKey of N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione?

The InChIKey is MKPSELAEYPXBCY-FUKKMVFESA-N. The full InChI is InChI=1S/C45H23NO4S2.C37H15F4NO4S2.C37H19NO4S2.C35H37N3O4S2.C31H16F3NO4S2.C15H5N7S2/c1-46-38-20-30(18-36-40(47)32-14-26-10-22-6-2-3-7-23(22)11-27(26)15-33(32)41(36)48)51-44(38)45-39(46)21-31(52-45)19-37-42(49)34-16-28-12-24-8-4-5-9-25(24)13-29(28)17-35(34)43(37)50;1-42-30-12-18(10-24-32(43)20-2-14-6-26(38)27(39)7-15(14)3-21(20)33(24)44)47-36(30)37-31(42)13-19(48-37)11-25-34(45)22-4-16-8-28(40)29(41)9-17(16)5-23(22)35(25)46;1-38-30-16-22(14-28-32(39)24-10-18-6-2-3-7-19(18)11-25(24)33(28)40)43-36(30)37-31(38)17-23(44-37)15-29-34(41)26-12-20-8-4-5-9-21(20)13-27(26)35(29)42;1-38-24-14-26(36-28-30(39)20-10-16-6-2-3-7-17(16)11-21(20)31(28)40)43-34(24)35-25(38)15-27(44-35)37-29-32(41)22-12-18-8-4-5-9-19(18)13-23(22)33(29)42;1-13-3-5-17-19(7-13)25(36)27(38)21(17)9-15-11-23-29(40-15)30-24(35(23)2)12-16(41-30)10-22-18-6-4-14(31(32,33)34)8-20(18)26(37)28(22)39;1-18-10(6-16)20-12-4-8-14(23-12)15-9(22(8)3)5-13(24-15)21-11(7-17)19-2/h2-21H,1H3;2-13H,1H3;2-17H,1H3;14-23H,2-13H2,1H3;3-12H,1-2H3;4-5H,3H3/b;;;;21-9-,22-10-;.

What are the key properties of N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione?

N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione has a molecular weight of 3551.99 g/mol, XLogP of 48.28, 12 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[10-[[cyano(isocyano)methylidene]amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-isocyanomethanimidoyl cyanide;2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione is sourced from PubChem (CID 164974102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).