(2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline

C128H151N13O10Si — CID 162207176

About (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline

(2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline (PubChem CID 162207176) has the molecular formula C128H151N13O10Si and a molecular weight of 2059.78 g/mol. Its IUPAC name is (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline.

Molecular Properties

• Compound Name: (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline
• PubChem CID: 162207176
• Molecular Formula: C128H151N13O10Si
• Molecular Weight: 2059.78 g/mol
• Exact Mass: 2058.15
• IUPAC Name: (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline
• SMILES: CCCCN(CCCC)c1ccc(/C=C/C2=C(C#N)/C(=C(/C)C#N)OC2(C)C)c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1.COc1c(/C=C/C2=C(C#N)/C(=C(/C)C#N)OC2(C)C)cc2c3c1CCCN3CCC2.[C-]#[N+]C1=C(/C=C/c2c(OC)cc(N(CCCC)CCCC)cc2OC)C(C)(C)O/C1=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(/C=C/c2c(OC)cc(N(CCCC)CCCC)cc2OC)C(C)(c2ccccc2)O/C1=C(\C)[N+]#[C-]
• InChI: InChI=1S/C42H51N3O2Si.C33H39N3O3.C28H34N4O3.C25H27N3O2/c1-9-11-27-45(28-12-10-2)34-25-23-33(24-26-38-37(31-44)40(32(3)30-43)46-42(38,7)8)39(29-34)47-48(41(4,5)6,35-19-15-13-16-20-35)36-21-17-14-18-22-36;1-9-11-20-36(21-12-10-2)26-22-29(37-7)27(30(23-26)38-8)18-19-28-31(35-6)32(24(3)34-5)39-33(28,4)25-16-14-13-15-17-25;1-9-11-15-32(16-12-10-2)20-17-24(33-7)21(25(18-20)34-8)13-14-22-26(31-6)27(23(19-29)30-5)35-28(22,3)4;1-16(14-26)23-20(15-27)21(25(2,3)30-23)10-9-18-13-17-7-5-11-28-12-6-8-19(22(17)28)24(18)29-4/h13-26,29H,9-12,27-28H2,1-8H3;13-19,22-23H,9-12,20-21H2,1-4,7-8H3;13-14,17-18H,9-12,15-16H2,1-4,7-8H3;9-10,13H,5-8,11-12H2,1-4H3/b26-24+,40-32+;19-18+,32-24+;14-13+,27-23+;10-9+,23-16+
• InChIKey: ZSIUHTFRGNXFFM-CBAOGCAASA-N
• XLogP: 29.46
• TPSA: 241.65 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2059.78
LogP ≤ 5	29.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline?

The IUPAC name of (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline (CID 162207176) is (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline.

What is the SMILES notation for (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline?

The canonical SMILES for (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline is CCCCN(CCCC)c1ccc(/C=C/C2=C(C#N)/C(=C(/C)C#N)OC2(C)C)c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1.COc1c(/C=C/C2=C(C#N)/C(=C(/C)C#N)OC2(C)C)cc2c3c1CCCN3CCC2.[C-]#[N+]C1=C(/C=C/c2c(OC)cc(N(CCCC)CCCC)cc2OC)C(C)(C)O/C1=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(/C=C/c2c(OC)cc(N(CCCC)CCCC)cc2OC)C(C)(c2ccccc2)O/C1=C(\C)[N+]#[C-].

What is the InChIKey of (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline?

The InChIKey is ZSIUHTFRGNXFFM-CBAOGCAASA-N. The full InChI is InChI=1S/C42H51N3O2Si.C33H39N3O3.C28H34N4O3.C25H27N3O2/c1-9-11-27-45(28-12-10-2)34-25-23-33(24-26-38-37(31-44)40(32(3)30-43)46-42(38,7)8)39(29-34)47-48(41(4,5)6,35-19-15-13-16-20-35)36-21-17-14-18-22-36;1-9-11-20-36(21-12-10-2)26-22-29(37-7)27(30(23-26)38-8)18-19-28-31(35-6)32(24(3)34-5)39-33(28,4)25-16-14-13-15-17-25;1-9-11-15-32(16-12-10-2)20-17-24(33-7)21(25(18-20)34-8)13-14-22-26(31-6)27(23(19-29)30-5)35-28(22,3)4;1-16(14-26)23-20(15-27)21(25(2,3)30-23)10-9-18-13-17-7-5-11-28-12-6-8-19(22(17)28)24(18)29-4/h13-26,29H,9-12,27-28H2,1-8H3;13-19,22-23H,9-12,20-21H2,1-4,7-8H3;13-14,17-18H,9-12,15-16H2,1-4,7-8H3;9-10,13H,5-8,11-12H2,1-4H3/b26-24+,40-32+;19-18+,32-24+;14-13+,27-23+;10-9+,23-16+.

What are the key properties of (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline?

(2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline has a molecular weight of 2059.78 g/mol, XLogP of 29.46, 39 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-4-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]-2-(1-cyanoethylidene)-5,5-dimethylfuran-3-carbonitrile;(2E)-2-(1-cyanoethylidene)-4-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-5,5-dimethylfuran-3-carbonitrile;(2E)-2-[4-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]-2-isocyanoacetonitrile;N,N-dibutyl-4-[(E)-2-[(5E)-4-isocyano-5-(1-isocyanoethylidene)-2-methyl-2-phenylfuran-3-yl]ethenyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 162207176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).