bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide

C233H265F6N19O16S — CID 159305046

About bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide

bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide (PubChem CID 159305046) has the molecular formula C233H265F6N19O16S and a molecular weight of 3733.85 g/mol. Its IUPAC name is bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide
• PubChem CID: 159305046
• Molecular Formula: C233H265F6N19O16S
• Molecular Weight: 3733.85 g/mol
• Exact Mass: 3731.01
• IUPAC Name: bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide
• SMILES: CCN(CC)CCCCC(=O)c1cccc(Nc2cccc(/C=C/c3ccc(OC)cc3)c2)c1.CCN(CC)CCCCC(=O)c1cccc(Nc2cccc(/C=C/c3ccc(OC)cc3)c2)c1.CN1CCN(CCCNC(=O)c2cccc(Cc3cccc(/C=C/c4ccc(OC(F)(F)F)cc4)c3)c2)CC1.CN1CCN(CCCNC(=O)c2cccc(Cc3cccc(/C=C/c4cccc(OC(F)(F)F)c4)c3)c2)CC1.COc1ccc(/C=C/c2cccc(Nc3ccc(C(=O)NCCC(C)C)cc3)c2)cc1.COc1ccc(/C=C/c2cccc(Nc3cccc(C(=O)CCCC(C)C)c3)c2)cc1.O=C(NCCCN1CCOCC1)c1cccc(Cc2cccc(/C=C/c3ccccn3)c2)c1.O=S(=O)(NCCCN1CCCCC1)c1cccc(Cc2cccc(/C=C/c3ccccn3)c2)c1
• InChI: InChI=1S/2C31H34F3N3O2.2C30H36N2O2.C28H33N3O2S.C28H31N3O2.C28H31NO2.C27H30N2O2/c1-36-16-18-37(19-17-36)15-5-14-35-30(38)28-10-3-9-27(22-28)21-26-8-2-6-24(20-26)12-13-25-7-4-11-29(23-25)39-31(32,33)34;1-36-17-19-37(20-18-36)16-4-15-35-30(38)28-8-3-7-27(23-28)22-26-6-2-5-25(21-26)10-9-24-11-13-29(14-12-24)39-31(32,33)34;2*1-4-32(5-2)21-7-6-14-30(33)26-11-9-13-28(23-26)31-27-12-8-10-25(22-27)16-15-24-17-19-29(34-3)20-18-24;32-34(33,30-17-8-20-31-18-4-1-5-19-31)28-13-7-11-26(23-28)22-25-10-6-9-24(21-25)14-15-27-12-2-3-16-29-27;32-28(30-14-5-15-31-16-18-33-19-17-31)26-9-4-8-25(22-26)21-24-7-3-6-23(20-24)11-12-27-10-1-2-13-29-27;1-21(2)7-4-12-28(30)24-9-6-11-26(20-24)29-25-10-5-8-23(19-25)14-13-22-15-17-27(31-3)18-16-22;1-20(2)17-18-28-27(30)23-11-13-24(14-12-23)29-25-6-4-5-22(19-25)8-7-21-9-15-26(31-3)16-10-21/h2-4,6-13,20,22-23H,5,14-19,21H2,1H3,(H,35,38);2-3,5-14,21,23H,4,15-20,22H2,1H3,(H,35,38);2*8-13,15-20,22-23,31H,4-7,14,21H2,1-3H3;2-3,6-7,9-16,21,23,30H,1,4-5,8,17-20,22H2;1-4,6-13,20,22H,5,14-19,21H2,(H,30,32);5-6,8-11,13-21,29H,4,7,12H2,1-3H3;4-16,19-20,29H,17-18H2,1-3H3,(H,28,30)/b13-12+;10-9+;2*16-15+;15-14+;12-11+;14-13+;8-7+
• InChIKey: LBUUGBQWRMQWIH-LGBONUTNSA-N
• XLogP: 49.33
• TPSA: 378.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 84
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3733.85
LogP ≤ 5	49.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide?

The IUPAC name of bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide (CID 159305046) is bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide.

What is the SMILES notation for bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide?

The canonical SMILES for bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide is CCN(CC)CCCCC(=O)c1cccc(Nc2cccc(/C=C/c3ccc(OC)cc3)c2)c1.CCN(CC)CCCCC(=O)c1cccc(Nc2cccc(/C=C/c3ccc(OC)cc3)c2)c1.CN1CCN(CCCNC(=O)c2cccc(Cc3cccc(/C=C/c4ccc(OC(F)(F)F)cc4)c3)c2)CC1.CN1CCN(CCCNC(=O)c2cccc(Cc3cccc(/C=C/c4cccc(OC(F)(F)F)c4)c3)c2)CC1.COc1ccc(/C=C/c2cccc(Nc3ccc(C(=O)NCCC(C)C)cc3)c2)cc1.COc1ccc(/C=C/c2cccc(Nc3cccc(C(=O)CCCC(C)C)c3)c2)cc1.O=C(NCCCN1CCOCC1)c1cccc(Cc2cccc(/C=C/c3ccccn3)c2)c1.O=S(=O)(NCCCN1CCCCC1)c1cccc(Cc2cccc(/C=C/c3ccccn3)c2)c1.

What is the InChIKey of bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide?

The InChIKey is LBUUGBQWRMQWIH-LGBONUTNSA-N. The full InChI is InChI=1S/2C31H34F3N3O2.2C30H36N2O2.C28H33N3O2S.C28H31N3O2.C28H31NO2.C27H30N2O2/c1-36-16-18-37(19-17-36)15-5-14-35-30(38)28-10-3-9-27(22-28)21-26-8-2-6-24(20-26)12-13-25-7-4-11-29(23-25)39-31(32,33)34;1-36-17-19-37(20-18-36)16-4-15-35-30(38)28-8-3-7-27(23-28)22-26-6-2-5-25(21-26)10-9-24-11-13-29(14-12-24)39-31(32,33)34;2*1-4-32(5-2)21-7-6-14-30(33)26-11-9-13-28(23-26)31-27-12-8-10-25(22-27)16-15-24-17-19-29(34-3)20-18-24;32-34(33,30-17-8-20-31-18-4-1-5-19-31)28-13-7-11-26(23-28)22-25-10-6-9-24(21-25)14-15-27-12-2-3-16-29-27;32-28(30-14-5-15-31-16-18-33-19-17-31)26-9-4-8-25(22-26)21-24-7-3-6-23(20-24)11-12-27-10-1-2-13-29-27;1-21(2)7-4-12-28(30)24-9-6-11-26(20-24)29-25-10-5-8-23(19-25)14-13-22-15-17-27(31-3)18-16-22;1-20(2)17-18-28-27(30)23-11-13-24(14-12-23)29-25-6-4-5-22(19-25)8-7-21-9-15-26(31-3)16-10-21/h2-4,6-13,20,22-23H,5,14-19,21H2,1H3,(H,35,38);2-3,5-14,21,23H,4,15-20,22H2,1H3,(H,35,38);2*8-13,15-20,22-23,31H,4-7,14,21H2,1-3H3;2-3,6-7,9-16,21,23,30H,1,4-5,8,17-20,22H2;1-4,6-13,20,22H,5,14-19,21H2,(H,30,32);5-6,8-11,13-21,29H,4,7,12H2,1-3H3;4-16,19-20,29H,17-18H2,1-3H3,(H,28,30)/b13-12+;10-9+;2*16-15+;15-14+;12-11+;14-13+;8-7+.

What are the key properties of bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide?

bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 3733.85 g/mol, XLogP of 49.33, 84 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 159305046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).