5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione)

C134H214N6O12 — CID 160732419

About 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione)

5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione) (PubChem CID 160732419) has the molecular formula C134H214N6O12 and a molecular weight of 2101.22 g/mol. Its IUPAC name is 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione).

Molecular Properties

• Compound Name: 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione)
• PubChem CID: 160732419
• Molecular Formula: C134H214N6O12
• Molecular Weight: 2101.22 g/mol
• Exact Mass: 2099.63
• IUPAC Name: 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione)
• SMILES: CCCC(=O)CC(CC(=O)CCC)c1ccc(N(CC)CC)cc1.CCCC(=O)CC(CC(=O)CCC)c1ccc(N(CC)CC)cc1.CCCCC(=O)CC(CC(=O)CCCC)c1ccc(N(CC)CC)cc1.CCCCCC(=O)CC(CC(=O)CCCCC)c1ccc(N(CC)CC)cc1.CCN(CC)c1ccc(C(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C)cc1.CCN(CC)c1ccc(C(CC(=O)C(C)C)CC(=O)C(C)C)cc1
• InChI: InChI=1S/C25H41NO2.2C23H37NO2.3C21H33NO2/c1-5-9-11-13-24(27)19-22(20-25(28)14-12-10-6-2)21-15-17-23(18-16-21)26(7-3)8-4;1-9-24(10-2)19-13-11-17(12-14-19)18(15-20(25)22(3,4)5)16-21(26)23(6,7)8;1-5-9-11-22(25)17-20(18-23(26)12-10-6-2)19-13-15-21(16-14-19)24(7-3)8-4;1-7-22(8-2)19-11-9-17(10-12-19)18(13-20(23)15(3)4)14-21(24)16(5)6;2*1-5-9-20(23)15-18(16-21(24)10-6-2)17-11-13-19(14-12-17)22(7-3)8-4/h15-18,22H,5-14,19-20H2,1-4H3;11-14,18H,9-10,15-16H2,1-8H3;13-16,20H,5-12,17-18H2,1-4H3;9-12,15-16,18H,7-8,13-14H2,1-6H3;2*11-14,18H,5-10,15-16H2,1-4H3
• InChIKey: RUNDFPIBNLOIIY-UHFFFAOYSA-N
• XLogP: 33.35
• TPSA: 224.28 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 72
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.22
LogP ≤ 5	33.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione)?

The IUPAC name of 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione) (CID 160732419) is 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione).

What is the SMILES notation for 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione)?

The canonical SMILES for 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione) is CCCC(=O)CC(CC(=O)CCC)c1ccc(N(CC)CC)cc1.CCCC(=O)CC(CC(=O)CCC)c1ccc(N(CC)CC)cc1.CCCCC(=O)CC(CC(=O)CCCC)c1ccc(N(CC)CC)cc1.CCCCCC(=O)CC(CC(=O)CCCCC)c1ccc(N(CC)CC)cc1.CCN(CC)c1ccc(C(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C)cc1.CCN(CC)c1ccc(C(CC(=O)C(C)C)CC(=O)C(C)C)cc1.

What is the InChIKey of 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione)?

The InChIKey is RUNDFPIBNLOIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO2.2C23H37NO2.3C21H33NO2/c1-5-9-11-13-24(27)19-22(20-25(28)14-12-10-6-2)21-15-17-23(18-16-21)26(7-3)8-4;1-9-24(10-2)19-13-11-17(12-14-19)18(15-20(25)22(3,4)5)16-21(26)23(6,7)8;1-5-9-11-22(25)17-20(18-23(26)12-10-6-2)19-13-15-21(16-14-19)24(7-3)8-4;1-7-22(8-2)19-11-9-17(10-12-19)18(13-20(23)15(3)4)14-21(24)16(5)6;2*1-5-9-20(23)15-18(16-21(24)10-6-2)17-11-13-19(14-12-17)22(7-3)8-4/h15-18,22H,5-14,19-20H2,1-4H3;11-14,18H,9-10,15-16H2,1-8H3;13-16,20H,5-12,17-18H2,1-4H3;9-12,15-16,18H,7-8,13-14H2,1-6H3;2*11-14,18H,5-10,15-16H2,1-4H3.

What are the key properties of 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione)?

5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione) has a molecular weight of 2101.22 g/mol, XLogP of 33.35, 72 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(diethylamino)phenyl]-2,8-dimethylnonane-3,7-dione;8-[4-(diethylamino)phenyl]pentadecane-6,10-dione;5-[4-(diethylamino)phenyl]-2,2,8,8-tetramethylnonane-3,7-dione;7-[4-(diethylamino)phenyl]tridecane-5,9-dione;bis(6-[4-(diethylamino)phenyl]undecane-4,8-dione) is sourced from PubChem (CID 160732419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).