(5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one

C143H130F6N20O7S2 — CID 172949359

About (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one

(5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one (PubChem CID 172949359) has the molecular formula C143H130F6N20O7S2 and a molecular weight of 2418.87 g/mol. Its IUPAC name is (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one.

Molecular Properties

• Compound Name: (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
• PubChem CID: 172949359
• Molecular Formula: C143H130F6N20O7S2
• Molecular Weight: 2418.87 g/mol
• Exact Mass: 2416.98
• IUPAC Name: (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
• SMILES: CC1(C)/C(=C\C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)N2CCCc3cccc1c32.CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/C=C1\N2CCCc3cccc(c32)C1(C)C.CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=N/N=c1\sc2cccc3c2n1CCC3.CC1=NN(c2ccccc2)C(=O)/C1=C\C=C1\N2CCCc3cccc(c32)C1(C)C.CN1N=C(C(F)(F)F)/C(=C/C=C2/N3CCCc4cccc(c43)C2(C)C)C1=O.[C-]#[N+]C([N+]#[C-])=c1s/c(=C\C=C2/N3CCCc4cccc(c43)C2(C)C)c2ccccc12
• InChI: InChI=1S/C26H21N3S.C25H22F3N3O.C25H25N3O.C24H19N5O2S.C23H23N3O2.C20H20F3N3O/c1-26(2)20-13-7-9-17-10-8-16-29(23(17)20)22(26)15-14-21-18-11-5-6-12-19(18)24(30-21)25(27-3)28-4;1-24(2)19-12-6-8-16-9-7-15-30(21(16)19)20(24)14-13-18-22(25(26,27)28)29-31(23(18)32)17-10-4-3-5-11-17;1-17-20(24(29)28(26-17)19-11-5-4-6-12-19)14-15-22-25(2,3)21-13-7-9-18-10-8-16-27(22)23(18)21;1-15-18(13-25)22(30)29(14-16-7-3-2-4-8-16)23(31)20(15)26-27-24-28-12-6-10-17-9-5-11-19(32-24)21(17)28;1-14-16(21(27)25(4)22(28)17(14)13-24)10-11-19-23(2,3)18-9-5-7-15-8-6-12-26(19)20(15)18;1-19(2)14-8-4-6-12-7-5-11-26(16(12)14)15(19)10-9-13-17(20(21,22)23)24-25(3)18(13)27/h5-7,9,11-15H,8,10,16H2,1-2H3;3-6,8,10-14H,7,9,15H2,1-2H3;4-7,9,11-15H,8,10,16H2,1-3H3;2-5,7-9,11H,6,10,12,14H2,1H3;5,7,9-11H,6,8,12H2,1-4H3;4,6,8-10H,5,7,11H2,1-3H3/b21-14-,22-15-;18-13-,20-14+;20-14-,22-15+;26-20+,27-24-;16-10+,19-11-;13-9-,15-10+
• InChIKey: LMJYKTLNVBFEOU-OHUCCUHTSA-N
• XLogP: 26.31
• TPSA: 274.92 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2418.87
LogP ≤ 5	26.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one?

The IUPAC name of (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one (CID 172949359) is (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one.

What is the SMILES notation for (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one?

The canonical SMILES for (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one is CC1(C)/C(=C\C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)N2CCCc3cccc1c32.CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/C=C1\N2CCCc3cccc(c32)C1(C)C.CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=N/N=c1\sc2cccc3c2n1CCC3.CC1=NN(c2ccccc2)C(=O)/C1=C\C=C1\N2CCCc3cccc(c32)C1(C)C.CN1N=C(C(F)(F)F)/C(=C/C=C2/N3CCCc4cccc(c43)C2(C)C)C1=O.[C-]#[N+]C([N+]#[C-])=c1s/c(=C\C=C2/N3CCCc4cccc(c43)C2(C)C)c2ccccc12.

What is the InChIKey of (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one?

The InChIKey is LMJYKTLNVBFEOU-OHUCCUHTSA-N. The full InChI is InChI=1S/C26H21N3S.C25H22F3N3O.C25H25N3O.C24H19N5O2S.C23H23N3O2.C20H20F3N3O/c1-26(2)20-13-7-9-17-10-8-16-29(23(17)20)22(26)15-14-21-18-11-5-6-12-19(18)24(30-21)25(27-3)28-4;1-24(2)19-12-6-8-16-9-7-15-30(21(16)19)20(24)14-13-18-22(25(26,27)28)29-31(23(18)32)17-10-4-3-5-11-17;1-17-20(24(29)28(26-17)19-11-5-4-6-12-19)14-15-22-25(2,3)21-13-7-9-18-10-8-16-27(22)23(18)21;1-15-18(13-25)22(30)29(14-16-7-3-2-4-8-16)23(31)20(15)26-27-24-28-12-6-10-17-9-5-11-19(32-24)21(17)28;1-14-16(21(27)25(4)22(28)17(14)13-24)10-11-19-23(2,3)18-9-5-7-15-8-6-12-26(19)20(15)18;1-19(2)14-8-4-6-12-7-5-11-26(16(12)14)15(19)10-9-13-17(20(21,22)23)24-25(3)18(13)27/h5-7,9,11-15H,8,10,16H2,1-2H3;3-6,8,10-14H,7,9,15H2,1-2H3;4-7,9,11-15H,8,10,16H2,1-3H3;2-5,7-9,11H,6,10,12,14H2,1H3;5,7,9-11H,6,8,12H2,1-4H3;4,6,8-10H,5,7,11H2,1-3H3/b21-14-,22-15-;18-13-,20-14+;20-14-,22-15+;26-20+,27-24-;16-10+,19-11-;13-9-,15-10+.

What are the key properties of (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one?

(5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one has a molecular weight of 2418.87 g/mol, XLogP of 26.31, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-1-benzyl-4-methyl-2,6-dioxo-5-[(Z)-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidenehydrazinylidene]pyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[3-(diisocyanomethylidene)-2-benzothiophen-1-ylidene]ethylidene]-3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;(5E)-5-[(2Z)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one;(4Z)-4-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one is sourced from PubChem (CID 172949359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).