N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride

C47H68F6N2O11P2 — CID 11378166

About N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride

N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride (PubChem CID 11378166) has the molecular formula C47H68F6N2O11P2 and a molecular weight of 1013.00 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride.

Molecular Properties

• Compound Name: N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride
• PubChem CID: 11378166
• Molecular Formula: C47H68F6N2O11P2
• Molecular Weight: 1013.00 g/mol
• Exact Mass: 1012.42
• IUPAC Name: N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride
• SMILES: CCOP(=O)(NCc1ccc(CNCc2ccc(C(C)(C)C)cc2)cc1)OCC.F.FP(F)(F)(F)F.c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2
• InChI: InChI=1S/C24H32O8.C23H35N2O3P.F5P.FH/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22;1-6-27-29(26,28-7-2)25-18-21-10-8-19(9-11-21)16-24-17-20-12-14-22(15-13-20)23(3,4)5;1-6(2,3,4)5;/h1-8H,9-20H2;8-15,24H,6-7,16-18H2,1-5H3,(H,25,26);;1H
• InChIKey: NBFYMHIUJUIMKW-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 133.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1013.00
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride?

The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride (CID 11378166) is N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride.

What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride?

The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride is CCOP(=O)(NCc1ccc(CNCc2ccc(C(C)(C)C)cc2)cc1)OCC.F.FP(F)(F)(F)F.c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2.

What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride?

The InChIKey is NBFYMHIUJUIMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O8.C23H35N2O3P.F5P.FH/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22;1-6-27-29(26,28-7-2)25-18-21-10-8-19(9-11-21)16-24-17-20-12-14-22(15-13-20)23(3,4)5;1-6(2,3,4)5;/h1-8H,9-20H2;8-15,24H,6-7,16-18H2,1-5H3,(H,25,26);;1H.

What are the key properties of N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride?

N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride has a molecular weight of 1013.00 g/mol, XLogP of 11.64, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-tert-butylphenyl)methyl]-1-[4-[(diethoxyphosphorylamino)methyl]phenyl]methanamine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;pentafluoro-λ5-phosphane;hydrofluoride is sourced from PubChem (CID 11378166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).