2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine

C122H141ClF3N11 — CID 160867216

About 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine

2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine (PubChem CID 160867216) has the molecular formula C122H141ClF3N11 and a molecular weight of 1853.99 g/mol. Its IUPAC name is 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine.

Molecular Properties

• Compound Name: 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine
• PubChem CID: 160867216
• Molecular Formula: C122H141ClF3N11
• Molecular Weight: 1853.99 g/mol
• Exact Mass: 1852.10
• IUPAC Name: 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2ccccc2Cl)n1.CC(C)c1cccc(C(C)C)c1NCCCNc1c(C(C)C)cccc1C(C)C.Cc1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1.FC(F)(F)c1ccccc1-c1cccc(/C=N/C2CCCCC2)n1.c1ccc(Cc2ccccc2NCc2cccc(CNc3ccccc3Cc3ccccc3)n2)cc1
• InChI: InChI=1S/C33H31N3.C27H42N2.C24H25ClN2.C19H19F3N2.C19H24N2/c1-3-12-26(13-4-1)22-28-16-7-9-20-32(28)34-24-30-18-11-19-31(36-30)25-35-33-21-10-8-17-29(33)23-27-14-5-2-6-15-27;1-18(2)22-12-9-13-23(19(3)4)26(22)28-16-11-17-29-27-24(20(5)6)14-10-15-25(27)21(7)8;1-16(2)19-11-8-12-20(17(3)4)24(19)26-15-18-9-7-14-23(27-18)21-10-5-6-13-22(21)25;20-19(21,22)17-11-5-4-10-16(17)18-12-6-9-15(24-18)13-23-14-7-2-1-3-8-14;1-13(2)17-10-7-11-18(14(3)4)19(17)20-12-16-9-6-8-15(5)21-16/h1-21,34-35H,22-25H2;9-10,12-15,18-21,28-29H,11,16-17H2,1-8H3;5-17H,1-4H3;4-6,9-14H,1-3,7-8H2;6-14H,1-5H3/b;;26-15+;23-13+;20-12+
• InChIKey: SLGUSQJCQHEPBE-KAIMCKGLSA-N
• XLogP: 33.89
• TPSA: 136.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 32
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.99
LogP ≤ 5	33.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine?

The IUPAC name of 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine (CID 160867216) is 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine.

What is the SMILES notation for 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine?

The canonical SMILES for 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2ccccc2Cl)n1.CC(C)c1cccc(C(C)C)c1NCCCNc1c(C(C)C)cccc1C(C)C.Cc1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1.FC(F)(F)c1ccccc1-c1cccc(/C=N/C2CCCCC2)n1.c1ccc(Cc2ccccc2NCc2cccc(CNc3ccccc3Cc3ccccc3)n2)cc1.

What is the InChIKey of 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine?

The InChIKey is SLGUSQJCQHEPBE-KAIMCKGLSA-N. The full InChI is InChI=1S/C33H31N3.C27H42N2.C24H25ClN2.C19H19F3N2.C19H24N2/c1-3-12-26(13-4-1)22-28-16-7-9-20-32(28)34-24-30-18-11-19-31(36-30)25-35-33-21-10-8-17-29(33)23-27-14-5-2-6-15-27;1-18(2)22-12-9-13-23(19(3)4)26(22)28-16-11-17-29-27-24(20(5)6)14-10-15-25(27)21(7)8;1-16(2)19-11-8-12-20(17(3)4)24(19)26-15-18-9-7-14-23(27-18)21-10-5-6-13-22(21)25;20-19(21,22)17-11-5-4-10-16(17)18-12-6-9-15(24-18)13-23-14-7-2-1-3-8-14;1-13(2)17-10-7-11-18(14(3)4)19(17)20-12-16-9-6-8-15(5)21-16/h1-21,34-35H,22-25H2;9-10,12-15,18-21,28-29H,11,16-17H2,1-8H3;5-17H,1-4H3;4-6,9-14H,1-3,7-8H2;6-14H,1-5H3/b;;26-15+;23-13+;20-12+.

What are the key properties of 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine?

2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine has a molecular weight of 1853.99 g/mol, XLogP of 33.89, 32 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-N-[[6-[(2-benzylanilino)methyl]-2-pyridinyl]methyl]aniline;N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine;1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine is sourced from PubChem (CID 160867216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).