4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline

C217H215F14N15O3 — CID 158628798

About 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline

4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline (PubChem CID 158628798) has the molecular formula C217H215F14N15O3 and a molecular weight of 3347.18 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline.

Molecular Properties

• Compound Name: 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline
• PubChem CID: 158628798
• Molecular Formula: C217H215F14N15O3
• Molecular Weight: 3347.18 g/mol
• Exact Mass: 3344.69
• IUPAC Name: 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline
• SMILES: CC(C)c1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.CC(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.CC(C)c1cc(N(C)C)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.CC(C)c1cc(N2CCCC2)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.CC(C)c1cc([N+](=O)[O-])cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.COc1cc(C(C)C)c(NC(c2ccccc2)c2cccc(-c3cccc4ccccc34)n2)c(C(C)C)c1
• InChI: InChI=1S/C38H41N3.2C37H33F7N2.C36H39N3.C35H36N2O.C34H33N3O2/c1-26(2)33-24-30(41-22-10-11-23-41)25-34(27(3)4)38(33)40-37(29-15-6-5-7-16-29)36-21-13-20-35(39-36)32-19-12-17-28-14-8-9-18-31(28)32;1-22(2)29-20-26(35(38,39)36(40,41)37(42,43)44)21-30(23(3)4)34(29)46-33(25-13-6-5-7-14-25)32-19-11-18-31(45-32)28-17-10-15-24-12-8-9-16-27(24)28;1-22(2)29-20-26(35(38,36(39,40)41)37(42,43)44)21-30(23(3)4)34(29)46-33(25-13-6-5-7-14-25)32-19-11-18-31(45-32)28-17-10-15-24-12-8-9-16-27(24)28;1-24(2)31-22-28(39(5)6)23-32(25(3)4)36(31)38-35(27-15-8-7-9-16-27)34-21-13-20-33(37-34)30-19-12-17-26-14-10-11-18-29(26)30;1-23(2)30-21-27(38-5)22-31(24(3)4)35(30)37-34(26-14-7-6-8-15-26)33-20-12-19-32(36-33)29-18-11-16-25-13-9-10-17-28(25)29;1-22(2)29-20-26(37(38)39)21-30(23(3)4)34(29)36-33(25-13-6-5-7-14-25)32-19-11-18-31(35-32)28-17-10-15-24-12-8-9-16-27(24)28/h5-9,12-21,24-27,37,40H,10-11,22-23H2,1-4H3;2*5-23,33,46H,1-4H3;7-25,35,38H,1-6H3;6-24,34,37H,1-5H3;5-23,33,36H,1-4H3
• InChIKey: HYXVSKNVOWGFMP-UHFFFAOYSA-N
• XLogP: 61.26
• TPSA: 208.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 49
• Heavy Atoms: 249
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3347.18
LogP ≤ 5	61.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline?

The IUPAC name of 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline (CID 158628798) is 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline.

What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline?

The canonical SMILES for 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline is CC(C)c1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.CC(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.CC(C)c1cc(N(C)C)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.CC(C)c1cc(N2CCCC2)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.CC(C)c1cc([N+](=O)[O-])cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.COc1cc(C(C)C)c(NC(c2ccccc2)c2cccc(-c3cccc4ccccc34)n2)c(C(C)C)c1.

What is the InChIKey of 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline?

The InChIKey is HYXVSKNVOWGFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N3.2C37H33F7N2.C36H39N3.C35H36N2O.C34H33N3O2/c1-26(2)33-24-30(41-22-10-11-23-41)25-34(27(3)4)38(33)40-37(29-15-6-5-7-16-29)36-21-13-20-35(39-36)32-19-12-17-28-14-8-9-18-31(28)32;1-22(2)29-20-26(35(38,39)36(40,41)37(42,43)44)21-30(23(3)4)34(29)46-33(25-13-6-5-7-14-25)32-19-11-18-31(45-32)28-17-10-15-24-12-8-9-16-27(24)28;1-22(2)29-20-26(35(38,36(39,40)41)37(42,43)44)21-30(23(3)4)34(29)46-33(25-13-6-5-7-14-25)32-19-11-18-31(45-32)28-17-10-15-24-12-8-9-16-27(24)28;1-24(2)31-22-28(39(5)6)23-32(25(3)4)36(31)38-35(27-15-8-7-9-16-27)34-21-13-20-33(37-34)30-19-12-17-26-14-10-11-18-29(26)30;1-23(2)30-21-27(38-5)22-31(24(3)4)35(30)37-34(26-14-7-6-8-15-26)33-20-12-19-32(36-33)29-18-11-16-25-13-9-10-17-28(25)29;1-22(2)29-20-26(37(38)39)21-30(23(3)4)34(29)36-33(25-13-6-5-7-14-25)32-19-11-18-31(35-32)28-17-10-15-24-12-8-9-16-27(24)28/h5-9,12-21,24-27,37,40H,10-11,22-23H2,1-4H3;2*5-23,33,46H,1-4H3;7-25,35,38H,1-6H3;6-24,34,37H,1-5H3;5-23,33,36H,1-4H3.

What are the key properties of 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline?

4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline has a molecular weight of 3347.18 g/mol, XLogP of 61.26, 49 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,4-N-dimethyl-1-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)benzene-1,4-diamine;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;4-methoxy-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)-4-pyrrolidin-1-ylaniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-4-nitro-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 158628798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).