2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol

C141H156N16O15 — CID 159834881

About 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol

2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol (PubChem CID 159834881) has the molecular formula C141H156N16O15 and a molecular weight of 2314.90 g/mol. Its IUPAC name is 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol.

Molecular Properties

• Compound Name: 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol
• PubChem CID: 159834881
• Molecular Formula: C141H156N16O15
• Molecular Weight: 2314.90 g/mol
• Exact Mass: 2313.19
• IUPAC Name: 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol
• SMILES: COc1ccc(/C=C/c2ccc(O)c(CN(C)Cc3ccccn3)c2)cc1OC.COc1ccc(/C=C/c2ccc(O)c(CN(Cc3ccccn3)Cc3ccccn3)c2)cc1OC.COc1ccc(/C=C/c2ccc(O)c(CN3CCN(C)CCN(C)CC3)c2)cc1OC.COc1ccc(/C=C/c2ccc(O)c(CN3Cc4cccc(n4)CN(C)Cc4cccc(n4)C3)c2)cc1OC.COc1ccc(/C=C/c2ccc(O)c(CN3Cc4cccc(n4)CNCc4cccc(n4)C3)c2)cc1OC
• InChI: InChI=1S/C32H34N4O3.C31H32N4O3.C29H29N3O3.C25H35N3O3.C24H26N2O3/c1-35-19-26-6-4-8-28(33-26)21-36(22-29-9-5-7-27(20-35)34-29)18-25-16-23(12-14-30(25)37)10-11-24-13-15-31(38-2)32(17-24)39-3;1-37-30-14-12-23(16-31(30)38-2)10-9-22-11-13-29(36)24(15-22)19-35-20-27-7-3-5-25(33-27)17-32-18-26-6-4-8-28(21-35)34-26;1-34-28-14-12-23(18-29(28)35-2)10-9-22-11-13-27(33)24(17-22)19-32(20-25-7-3-5-15-30-25)21-26-8-4-6-16-31-26;1-26-11-12-27(2)14-16-28(15-13-26)19-22-17-20(7-9-23(22)29)5-6-21-8-10-24(30-3)25(18-21)31-4;1-26(17-21-6-4-5-13-25-21)16-20-14-18(9-11-22(20)27)7-8-19-10-12-23(28-2)24(15-19)29-3/h4-17,37H,18-22H2,1-3H3;3-16,32,36H,17-21H2,1-2H3;3-18,33H,19-21H2,1-2H3;5-10,17-18,29H,11-16,19H2,1-4H3;4-15,27H,16-17H2,1-3H3/b11-10+;2*10-9+;6-5+;8-7+
• InChIKey: NNXXSZBEBYYCDP-ZIRCSCMLSA-N
• XLogP: 24.13
• TPSA: 321.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2314.90
LogP ≤ 5	24.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol?

The IUPAC name of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol (CID 159834881) is 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol.

What is the SMILES notation for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol?

The canonical SMILES for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol is COc1ccc(/C=C/c2ccc(O)c(CN(C)Cc3ccccn3)c2)cc1OC.COc1ccc(/C=C/c2ccc(O)c(CN(Cc3ccccn3)Cc3ccccn3)c2)cc1OC.COc1ccc(/C=C/c2ccc(O)c(CN3CCN(C)CCN(C)CC3)c2)cc1OC.COc1ccc(/C=C/c2ccc(O)c(CN3Cc4cccc(n4)CN(C)Cc4cccc(n4)C3)c2)cc1OC.COc1ccc(/C=C/c2ccc(O)c(CN3Cc4cccc(n4)CNCc4cccc(n4)C3)c2)cc1OC.

What is the InChIKey of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol?

The InChIKey is NNXXSZBEBYYCDP-ZIRCSCMLSA-N. The full InChI is InChI=1S/C32H34N4O3.C31H32N4O3.C29H29N3O3.C25H35N3O3.C24H26N2O3/c1-35-19-26-6-4-8-28(33-26)21-36(22-29-9-5-7-27(20-35)34-29)18-25-16-23(12-14-30(25)37)10-11-24-13-15-31(38-2)32(17-24)39-3;1-37-30-14-12-23(16-31(30)38-2)10-9-22-11-13-29(36)24(15-22)19-35-20-27-7-3-5-25(33-27)17-32-18-26-6-4-8-28(21-35)34-26;1-34-28-14-12-23(18-29(28)35-2)10-9-22-11-13-27(33)24(17-22)19-32(20-25-7-3-5-15-30-25)21-26-8-4-6-16-31-26;1-26-11-12-27(2)14-16-28(15-13-26)19-22-17-20(7-9-23(22)29)5-6-21-8-10-24(30-3)25(18-21)31-4;1-26(17-21-6-4-5-13-25-21)16-20-14-18(9-11-22(20)27)7-8-19-10-12-23(28-2)24(15-19)29-3/h4-17,37H,18-22H2,1-3H3;3-16,32,36H,17-21H2,1-2H3;3-18,33H,19-21H2,1-2H3;5-10,17-18,29H,11-16,19H2,1-4H3;4-15,27H,16-17H2,1-3H3/b11-10+;2*10-9+;6-5+;8-7+.

What are the key properties of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol?

2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol has a molecular weight of 2314.90 g/mol, XLogP of 24.13, 36 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol is sourced from PubChem (CID 159834881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).